N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine

C17H28N2 — CID 62419273

IUPACN'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
SMILESCCN(CCCCCNC1CC1)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-2-19(15-16-9-5-3-6-10-16)14-8-4-7-13-18-17-11-12-17/h3,5-6,9-10,17-18H,2,4,7-8,11-15H2,1H3
InChIKeyPYZHGLNKQQWHMD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.43
Rot. Bonds10

About N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine

N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine (PubChem CID 62419273) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
PubChem CID62419273
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
SMILESCCN(CCCCCNC1CC1)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-2-19(15-16-9-5-3-6-10-16)14-8-4-7-13-18-17-11-12-17/h3,5-6,9-10,17-18H,2,4,7-8,11-15H2,1H3
InChIKeyPYZHGLNKQQWHMD-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.43
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

N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N,N-dibenzyldodecan-1-amine
CID 11508874
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
The IUPAC name of N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine (CID 62419273) is N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine.
What is the SMILES notation for N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
The canonical SMILES for N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine is CCN(CCCCCNC1CC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
The InChIKey is PYZHGLNKQQWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-19(15-16-9-5-3-6-10-16)14-8-4-7-13-18-17-11-12-17/h3,5-6,9-10,17-18H,2,4,7-8,11-15H2,1H3.
What are the key properties of N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine?
N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine is sourced from PubChem (CID 62419273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).