(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine

C19H25N — CID 64738648

IUPAC(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
SMILESCC1CCC(C(N)c2ccc3ccccc3c2)CC1C
InChIInChI=1S/C19H25N/c1-13-7-8-17(11-14(13)2)19(20)18-10-9-15-5-3-4-6-16(15)12-18/h3-6,9-10,12-14,17,19H,7-8,11,20H2,1-2H3
InChIKeyXMLCDVSSUIJBRK-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.91
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine

(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine (PubChem CID 64738648) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
PubChem CID64738648
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
SMILESCC1CCC(C(N)c2ccc3ccccc3c2)CC1C
InChIInChI=1S/C19H25N/c1-13-7-8-17(11-14(13)2)19(20)18-10-9-15-5-3-4-6-16(15)12-18/h3-6,9-10,12-14,17,19H,7-8,11,20H2,1-2H3
InChIKeyXMLCDVSSUIJBRK-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[amino(naphthalen-2-yl)methyl]cyclohexan-1-ol
CID 116941899
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64740034
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
CID 104989300
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
CID 64738631
cyclopropyl(naphthalen-2-yl)methanol
CID 62791150

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine (CID 64738648) is (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine is CC1CCC(C(N)c2ccc3ccccc3c2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine?
The InChIKey is XMLCDVSSUIJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13-7-8-17(11-14(13)2)19(20)18-10-9-15-5-3-4-6-16(15)12-18/h3-6,9-10,12-14,17,19H,7-8,11,20H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine?
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine is sourced from PubChem (CID 64738648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).