1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine

C14H24N2 — CID 131052434

IUPAC1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(Cc1ccccc1)CC(C)NC
InChIInChI=1S/C14H24N2/c1-4-10-16(11-13(2)15-3)12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyHGJWURGALUUQIB-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.51
Rot. Bonds7

About 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine

1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine (PubChem CID 131052434) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
PubChem CID131052434
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(Cc1ccccc1)CC(C)NC
InChIInChI=1S/C14H24N2/c1-4-10-16(11-13(2)15-3)12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyHGJWURGALUUQIB-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366167
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
N-benzyl-N-propylhexan-1-amine
CID 123983090
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine (CID 131052434) is 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine is CCCN(Cc1ccccc1)CC(C)NC.
What is the InChIKey of 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine?
The InChIKey is HGJWURGALUUQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-16(11-13(2)15-3)12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3.
What are the key properties of 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine?
1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 131052434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).