2-benzyl-N',N'-dimethylpropane-1,3-diamine

C12H20N2 — CID 23008665

IUPAC2-benzyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)Cc1ccccc1
InChIInChI=1S/C12H20N2/c1-14(2)10-12(9-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3
InChIKeyBUISFTREYATVCN-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.37
Rot. Bonds5

About 2-benzyl-N',N'-dimethylpropane-1,3-diamine

2-benzyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 23008665) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-benzyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-benzyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID23008665
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-benzyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)Cc1ccccc1
InChIInChI=1S/C12H20N2/c1-14(2)10-12(9-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3
InChIKeyBUISFTREYATVCN-UHFFFAOYSA-N
XLogP1.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
(2R)-2-benzylbutan-1-amine
CID 42325983
(2R)-2-benzyl-N,N-dimethylhexan-1-amine
CID 10021640
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 70448173
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2-benzyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591378
2-benzyl-6-methoxyhexan-1-amine
CID 104649139

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-benzyl-N',N'-dimethylpropane-1,3-diamine (CID 23008665) is 2-benzyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-benzyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-benzyl-N',N'-dimethylpropane-1,3-diamine is CN(C)CC(CN)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is BUISFTREYATVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-14(2)10-12(9-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3.
What are the key properties of 2-benzyl-N',N'-dimethylpropane-1,3-diamine?
2-benzyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 23008665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).