(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine

C19H25N — CID 65391024

IUPAC(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine
SMILESCC1(C)CCC(C(N)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H25N/c1-19(2)12-10-15(11-13-19)18(20)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18H,10-13,20H2,1-2H3
InChIKeyBOTOOWVJHILHBA-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.06
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine

(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine (PubChem CID 65391024) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine
PubChem CID65391024
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine
SMILESCC1(C)CCC(C(N)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H25N/c1-19(2)12-10-15(11-13-19)18(20)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18H,10-13,20H2,1-2H3
InChIKeyBOTOOWVJHILHBA-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 107513467
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65391223

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine (CID 65391024) is (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine is CC1(C)CCC(C(N)c2cccc3ccccc23)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine?
The InChIKey is BOTOOWVJHILHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-19(2)12-10-15(11-13-19)18(20)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18H,10-13,20H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine?
(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine has a molecular weight of 267.42 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine is sourced from PubChem (CID 65391024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).