2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine

C19H34N2 — CID 63469362

IUPAC2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
SMILESCCCCCN(C)C(CC)C(NCCC)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-8-12-16-21(4)18(7-3)19(20-15-6-2)17-13-10-9-11-14-17/h9-11,13-14,18-20H,5-8,12,15-16H2,1-4H3
InChIKeyQXLCQMWWXNGEID-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds11

About 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine

2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine (PubChem CID 63469362) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
PubChem CID63469362
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
SMILESCCCCCN(C)C(CC)C(NCCC)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-8-12-16-21(4)18(7-3)19(20-15-6-2)17-13-10-9-11-14-17/h9-11,13-14,18-20H,5-8,12,15-16H2,1-4H3
InChIKeyQXLCQMWWXNGEID-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine 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

2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63467773
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 81058735
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 63465492

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine (CID 63469362) is 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine is CCCCCN(C)C(CC)C(NCCC)c1ccccc1.
What is the InChIKey of 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine?
The InChIKey is QXLCQMWWXNGEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-8-12-16-21(4)18(7-3)19(20-15-6-2)17-13-10-9-11-14-17/h9-11,13-14,18-20H,5-8,12,15-16H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine?
2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63469362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).