N'-benzyl-N'-propan-2-ylheptane-1,7-diamine

C17H30N2 — CID 28597865

IUPACN'-benzyl-N'-propan-2-ylheptane-1,7-diamine
SMILESCC(C)N(CCCCCCCN)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-16(2)19(14-10-5-3-4-9-13-18)15-17-11-7-6-8-12-17/h6-8,11-12,16H,3-5,9-10,13-15,18H2,1-2H3
InChIKeyMSMIQYLKPBHEKD-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds10

About N'-benzyl-N'-propan-2-ylheptane-1,7-diamine

N'-benzyl-N'-propan-2-ylheptane-1,7-diamine (PubChem CID 28597865) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-benzyl-N'-propan-2-ylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-propan-2-ylheptane-1,7-diamine
PubChem CID28597865
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-benzyl-N'-propan-2-ylheptane-1,7-diamine
SMILESCC(C)N(CCCCCCCN)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-16(2)19(14-10-5-3-4-9-13-18)15-17-11-7-6-8-12-17/h6-8,11-12,16H,3-5,9-10,13-15,18H2,1-2H3
InChIKeyMSMIQYLKPBHEKD-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
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
4-[benzyl(dimethylamino)amino]butan-1-amine
CID 143169694
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
CID 107367944
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-propan-2-ylheptane-1,7-diamine?
The IUPAC name of N'-benzyl-N'-propan-2-ylheptane-1,7-diamine (CID 28597865) is N'-benzyl-N'-propan-2-ylheptane-1,7-diamine.
What is the SMILES notation for N'-benzyl-N'-propan-2-ylheptane-1,7-diamine?
The canonical SMILES for N'-benzyl-N'-propan-2-ylheptane-1,7-diamine is CC(C)N(CCCCCCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-propan-2-ylheptane-1,7-diamine?
The InChIKey is MSMIQYLKPBHEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-16(2)19(14-10-5-3-4-9-13-18)15-17-11-7-6-8-12-17/h6-8,11-12,16H,3-5,9-10,13-15,18H2,1-2H3.
What are the key properties of N'-benzyl-N'-propan-2-ylheptane-1,7-diamine?
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-propan-2-ylheptane-1,7-diamine is sourced from PubChem (CID 28597865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).