2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine

C17H24N2 — CID 119929198

IUPAC2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-13(2)17(3,12-18)19-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,19H,11-12,18H2,1-3H3
InChIKeyMLOIRPJBQJZIAM-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.30
Rot. Bonds5

About 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine

2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine (PubChem CID 119929198) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
PubChem CID119929198
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-13(2)17(3,12-18)19-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,19H,11-12,18H2,1-3H3
InChIKeyMLOIRPJBQJZIAM-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119929201
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
2-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929084
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929106
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
CID 111469119
2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119934808
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine (CID 119929198) is 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine is CC(C)C(C)(CN)NCc1ccc2ccccc2c1.
What is the InChIKey of 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is MLOIRPJBQJZIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)17(3,12-18)19-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,19H,11-12,18H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine?
2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 119929198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).