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

C12H20N2 — CID 62847859

IUPAC1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1ccccc1
InChIInChI=1S/C12H20N2/c1-12(2,13-3)10-14-9-11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3
InChIKeyLGQAGLPOOMXDNY-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.77
Rot. Bonds5

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

1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 62847859) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
PubChem CID62847859
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1ccccc1
InChIInChI=1S/C12H20N2/c1-12(2,13-3)10-14-9-11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3
InChIKeyLGQAGLPOOMXDNY-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222199
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301
N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
CID 102481458
1-(benzylamino)-2-methylbut-3-en-2-ol
CID 11263990
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
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N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-benzylethanamine;tris(yttrium)
CID 158198357
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine (CID 62847859) is 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is LGQAGLPOOMXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,13-3)10-14-9-11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3.
What are the key properties of 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine?
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62847859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).