N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine

C15H24N2 — CID 107367618

IUPACN'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
SMILESC=C(CC)CN(CCCN)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-3-14(2)12-17(11-7-10-16)13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-13,16H2,1H3
InChIKeyRDNZDYJRQKCWPS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.80
Rot. Bonds8

About N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine

N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine (PubChem CID 107367618) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
PubChem CID107367618
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
SMILESC=C(CC)CN(CCCN)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-3-14(2)12-17(11-7-10-16)13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-13,16H2,1H3
InChIKeyRDNZDYJRQKCWPS-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
5-[3-aminopropyl(benzyl)amino]-2,2-dimethylpentanenitrile
CID 107367959
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine (CID 107367618) is N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine is C=C(CC)CN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine?
The InChIKey is RDNZDYJRQKCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-14(2)12-17(11-7-10-16)13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-13,16H2,1H3.
What are the key properties of N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine?
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine is sourced from PubChem (CID 107367618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).