22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene

C59H117N — CID 157043270

IUPAC22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene
SMILESC=C(CCCCCCCCC(CCCCCCCCC)N(C)C(=C)CCCCCCCC)CCC(CCCC)CCCCCC.C=CCCC(CCCC)CCCCCC
InChIInChI=1S/C44H87N.C15H30/c1-8-12-16-19-21-26-31-37-44(45(7)42(6)34-29-25-20-17-13-9-2)38-32-27-23-22-24-28-33-41(5)39-40-43(35-15-11-4)36-30-18-14-10-3;1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h43-44H,5-6,8-40H2,1-4,7H3;5,15H,2,4,6-14H2,1,3H3
InChIKeyBQKGQIJJJWIIJJ-UHFFFAOYSA-N
MW840.59 g/mol
LogP21.66
Rot. Bonds48

About 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene

22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene (PubChem CID 157043270) has the molecular formula C59H117N and a molecular weight of 840.59 g/mol. Its IUPAC name is 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene.

Molecular Properties

Compound Name22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene
PubChem CID157043270
Molecular FormulaC59H117N
Molecular Weight840.59 g/mol
Exact Mass839.92
IUPAC Name22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene
SMILESC=C(CCCCCCCCC(CCCCCCCCC)N(C)C(=C)CCCCCCCC)CCC(CCCC)CCCCCC.C=CCCC(CCCC)CCCCCC
InChIInChI=1S/C44H87N.C15H30/c1-8-12-16-19-21-26-31-37-44(45(7)42(6)34-29-25-20-17-13-9-2)38-32-27-23-22-24-28-33-41(5)39-40-43(35-15-11-4)36-30-18-14-10-3;1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h43-44H,5-6,8-40H2,1-4,7H3;5,15H,2,4,6-14H2,1,3H3
InChIKeyBQKGQIJJJWIIJJ-UHFFFAOYSA-N
XLogP21.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.59
LogP ≤ 521.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene 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

6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
CID 155274657
N-(6-fluorooctan-4-yl)-N-methyl-11-methylidene-7-propyltridec-12-en-6-amine
CID 170075652
N,N,4-trimethylpentadec-1-en-6-amine
CID 170848016
N,N,2-triethyldec-9-en-1-amine
CID 17825202
1-Hex-1-enyl-2-non-8-en-2-ylpyrrolidine
CID 53932069
1-(6,10-Dimethylundec-1-en-4-yl)piperidine
CID 67908321
N-[2-(cyclohex-3-en-1-ylmethyl)butyl]-N,3-dimethylpent-1-en-2-amine
CID 68302507
1,3-dipentyl-2,4-bis(prop-2-enyl)-4H-pyridine
CID 69776635
3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine
CID 88829503
3-Butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine
CID 89197869
(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
CID 89311785
N,N,5-tris(prop-2-enyl)undec-1-en-6-amine
CID 90032235

Frequently Asked Questions

What is the IUPAC name of 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene?
The IUPAC name of 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene (CID 157043270) is 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene.
What is the SMILES notation for 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene?
The canonical SMILES for 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene is C=C(CCCCCCCCC(CCCCCCCCC)N(C)C(=C)CCCCCCCC)CCC(CCCC)CCCCCC.C=CCCC(CCCC)CCCCCC.
What is the InChIKey of 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene?
The InChIKey is BQKGQIJJJWIIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H87N.C15H30/c1-8-12-16-19-21-26-31-37-44(45(7)42(6)34-29-25-20-17-13-9-2)38-32-27-23-22-24-28-33-41(5)39-40-43(35-15-11-4)36-30-18-14-10-3;1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h43-44H,5-6,8-40H2,1-4,7H3;5,15H,2,4,6-14H2,1,3H3.
What are the key properties of 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene?
22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene has a molecular weight of 840.59 g/mol, XLogP of 21.66, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene is sourced from PubChem (CID 157043270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).