2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine

C19H27N — CID 123529640

IUPAC2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine
SMILESCC(C)(N)CC(c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C19H27N/c1-18(2,3)17(13-19(4,5)20)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17H,13,20H2,1-5H3
InChIKeyMUMFXDBOWZBSGT-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.10
Rot. Bonds3

About 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine

2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine (PubChem CID 123529640) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine
PubChem CID123529640
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine
SMILESCC(C)(N)CC(c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C19H27N/c1-18(2,3)17(13-19(4,5)20)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17H,13,20H2,1-5H3
InChIKeyMUMFXDBOWZBSGT-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
CID 123479998
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
amino(naphthalen-2-yl)methanethiol
CID 116939563
1-naphthalen-2-ylethanamine
CID 3857145
N-(2-amino-2-methylpropyl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119630118
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine?
The IUPAC name of 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine (CID 123529640) is 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine.
What is the SMILES notation for 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine?
The canonical SMILES for 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine is CC(C)(N)CC(c1ccc2ccccc2c1)C(C)(C)C.
What is the InChIKey of 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine?
The InChIKey is MUMFXDBOWZBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-18(2,3)17(13-19(4,5)20)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17H,13,20H2,1-5H3.
What are the key properties of 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine?
2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine is sourced from PubChem (CID 123529640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).