4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine

C16H31N — CID 65082506

IUPAC4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine
SMILESCC1CCCCC1NC1CCCC(C)(C)CC1
InChIInChI=1S/C16H31N/c1-13-7-4-5-9-15(13)17-14-8-6-11-16(2,3)12-10-14/h13-15,17H,4-12H2,1-3H3
InChIKeyNCEIZANGRWPOFL-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds2

About 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine

4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine (PubChem CID 65082506) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine
PubChem CID65082506
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine
SMILESCC1CCCCC1NC1CCCC(C)(C)CC1
InChIInChI=1S/C16H31N/c1-13-7-4-5-9-15(13)17-14-8-6-11-16(2,3)12-10-14/h13-15,17H,4-12H2,1-3H3
InChIKeyNCEIZANGRWPOFL-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine (CID 65082506) is 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine is CC1CCCCC1NC1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine?
The InChIKey is NCEIZANGRWPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13-7-4-5-9-15(13)17-14-8-6-11-16(2,3)12-10-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine?
4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine is sourced from PubChem (CID 65082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).