(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C19H29N — CID 107177030

IUPAC(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCC1(C)CCCCC1C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29N/c1-19(2)12-6-5-9-17(19)18(20)16-11-10-14-7-3-4-8-15(14)13-16/h10-11,13,17-18H,3-9,12,20H2,1-2H3
InChIKeyOTWCPBHMUUITPH-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.78
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107177030) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107177030
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCC1(C)CCCCC1C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29N/c1-19(2)12-6-5-9-17(19)18(20)16-11-10-14-7-3-4-8-15(14)13-16/h10-11,13,17-18H,3-9,12,20H2,1-2H3
InChIKeyOTWCPBHMUUITPH-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177014
6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107178147
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677
6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106828477
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2,3-dihydro-1H-inden-5-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66476377
6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107182214

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 107177030) is (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is CC1(C)CCCCC1C(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is OTWCPBHMUUITPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2)12-6-5-9-17(19)18(20)16-11-10-14-7-3-4-8-15(14)13-16/h10-11,13,17-18H,3-9,12,20H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 271.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107177030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).