N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane

C76H160N4 — CID 166101127

IUPACN-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane
SMILESC=C(CCC)NCCN(CCCCCCC(C)C(=C)C)N(CCCCCCCC)CCCCCCCC.C=CCCCCCCCCCCC.CC.CCC=CCCCCCCCCCCC.CCCCCCCCCCC.CN
InChIInChI=1S/C34H69N3.C15H30.C13H26.C11H24.C2H6.CH5N/c1-8-11-13-15-18-22-28-36(29-23-19-16-14-12-9-2)37(31-27-35-34(7)25-10-3)30-24-20-17-21-26-33(6)32(4)5;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;2*1-2/h33,35H,4,7-31H2,1-3,5-6H3;5,7H,3-4,6,8-15H2,1-2H3;3H,1,4-13H2,2H3;3-11H2,1-2H3;1-2H3;2H2,1H3
InChIKeyAVDFGMPLVIOBIA-UHFFFAOYSA-N
MW1130.14 g/mol
LogP26.40
Rot. Bonds58

About N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane

N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane (PubChem CID 166101127) has the molecular formula C76H160N4 and a molecular weight of 1130.14 g/mol. Its IUPAC name is N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane.

Molecular Properties

Compound NameN-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane
PubChem CID166101127
Molecular FormulaC76H160N4
Molecular Weight1130.14 g/mol
Exact Mass1129.26
IUPAC NameN-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane
SMILESC=C(CCC)NCCN(CCCCCCC(C)C(=C)C)N(CCCCCCCC)CCCCCCCC.C=CCCCCCCCCCCC.CC.CCC=CCCCCCCCCCCC.CCCCCCCCCCC.CN
InChIInChI=1S/C34H69N3.C15H30.C13H26.C11H24.C2H6.CH5N/c1-8-11-13-15-18-22-28-36(29-23-19-16-14-12-9-2)37(31-27-35-34(7)25-10-3)30-24-20-17-21-26-33(6)32(4)5;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;2*1-2/h33,35H,4,7-31H2,1-3,5-6H3;5,7H,3-4,6,8-15H2,1-2H3;3H,1,4-13H2,2H3;3-11H2,1-2H3;1-2H3;2H2,1H3
InChIKeyAVDFGMPLVIOBIA-UHFFFAOYSA-N
XLogP26.40
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds58
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.14
LogP ≤ 526.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-N'-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]ethane-1,2-diamine
CID 58069871
N,N'-dimethyl-N'-(2-octadeca-9,12-dienylicosa-11,14-dienyl)ethane-1,2-diamine
CID 76686382
(Z)-6-methyl-4-N-[(Z)-octadec-9-enyl]pentacos-16-ene-2,4,5,7-tetramine
CID 88313458
8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine
CID 123701561
N-dodecyl-4-[2-(dodecylamino)ethyl]-N-[(Z)-9-methylheptadec-11-enyl]piperazin-1-amine
CID 129293491
7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine
CID 132175200
(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine
CID 134388513
(12E,14E)-2-ethyl-4-methylidene-N-[(10E,12E,14E)-nonadeca-1,10,12,14-tetraen-2-yl]henicosa-12,14-dien-1-amine
CID 134548332
(5E)-9-N-methyl-9-N-[8-(7-methyloctylamino)non-8-enyl]-2-N-(10-methylundecyl)deca-1,5,9-triene-2,9-diamine
CID 135302591
(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine
CID 138485965
N-[(4E,6Z,10E,12R,16S)-9-(2-aminoprop-2-enyl)-13-ethenyl-8-ethyl-4,10,12,14,16-pentamethyl-3,20,22-trimethylidene-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]-N',N'-dimethylethane-1,2-diamine
CID 138526171
1-N-[(7R)-5-ethyl-7,11-dimethyl-4-propyldodeca-1,10-dien-2-yl]-4-N-(7-hydrazinylheptyl)pent-4-ene-1,4-diamine
CID 139325508

Frequently Asked Questions

What is the IUPAC name of N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane?
The IUPAC name of N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane (CID 166101127) is N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane.
What is the SMILES notation for N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane?
The canonical SMILES for N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane is C=C(CCC)NCCN(CCCCCCC(C)C(=C)C)N(CCCCCCCC)CCCCCCCC.C=CCCCCCCCCCCC.CC.CCC=CCCCCCCCCCCC.CCCCCCCCCCC.CN.
What is the InChIKey of N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane?
The InChIKey is AVDFGMPLVIOBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69N3.C15H30.C13H26.C11H24.C2H6.CH5N/c1-8-11-13-15-18-22-28-36(29-23-19-16-14-12-9-2)37(31-27-35-34(7)25-10-3)30-24-20-17-21-26-33(6)32(4)5;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;2*1-2/h33,35H,4,7-31H2,1-3,5-6H3;5,7H,3-4,6,8-15H2,1-2H3;3H,1,4-13H2,2H3;3-11H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane?
N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane has a molecular weight of 1130.14 g/mol, XLogP of 26.40, 58 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane is sourced from PubChem (CID 166101127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).