N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine

C19H34N2 — CID 62423460

IUPACN'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)CNCCCCCN(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-17(2)15-20-13-9-6-10-14-21(18(3)4)16-19-11-7-5-8-12-19/h5,7-8,11-12,17-18,20H,6,9-10,13-16H2,1-4H3
InChIKeyBOBJZLKCXZZNES-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.31
Rot. Bonds11

About N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine

N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine (PubChem CID 62423460) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
PubChem CID62423460
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)CNCCCCCN(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-17(2)15-20-13-9-6-10-14-21(18(3)4)16-19-11-7-5-8-12-19/h5,7-8,11-12,17-18,20H,6,9-10,13-16H2,1-4H3
InChIKeyBOBJZLKCXZZNES-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-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

N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
1-[benzyl-[4-[7-[4-[benzyl(1-hydroxyethyl)amino]butylamino]heptylamino]butyl]amino]ethanol
CID 19757907
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
1-[4-(3-phenylpropylamino)butyl-[7-[4-(3-phenylpropylamino)butyl-(1-sulfanylethyl)amino]heptyl]amino]ethanethiol
CID 57303556
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine (CID 62423460) is N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine is CC(C)CNCCCCCN(Cc1ccccc1)C(C)C.
What is the InChIKey of N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine?
The InChIKey is BOBJZLKCXZZNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-17(2)15-20-13-9-6-10-14-21(18(3)4)16-19-11-7-5-8-12-19/h5,7-8,11-12,17-18,20H,6,9-10,13-16H2,1-4H3.
What are the key properties of N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine?
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62423460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).