1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C18H30N2 — CID 115531864

IUPAC1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C18H30N2/c1-17(2)12-11-14-9-7-8-10-15(14)16(17)19-13-18(3,4)20(5)6/h7-10,16,19H,11-13H2,1-6H3
InChIKeyWMXZKUJVORLRGO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.63
Rot. Bonds4

About 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115531864) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115531864
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C18H30N2/c1-17(2)12-11-14-9-7-8-10-15(14)16(17)19-13-18(3,4)20(5)6/h7-10,16,19H,11-13H2,1-6H3
InChIKeyWMXZKUJVORLRGO-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine with MolForge

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Related Compounds

2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532219
2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532049
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329802

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 115531864) is 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNC1c2ccccc2CCC1(C)C.
What is the InChIKey of 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is WMXZKUJVORLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-17(2)12-11-14-9-7-8-10-15(14)16(17)19-13-18(3,4)20(5)6/h7-10,16,19H,11-13H2,1-6H3.
What are the key properties of 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115531864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).