N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine

C13H27N — CID 144523247

IUPACN,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine
SMILESCNC1C(C)CC(CC(C)C)CC1C
InChIInChI=1S/C13H27N/c1-9(2)6-12-7-10(3)13(14-5)11(4)8-12/h9-14H,6-8H2,1-5H3
InChIKeyPTPPCRSBDRWCPS-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.30
Rot. Bonds3

About N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine

N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 144523247) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine
PubChem CID144523247
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine
SMILESCNC1C(C)CC(CC(C)C)CC1C
InChIInChI=1S/C13H27N/c1-9(2)6-12-7-10(3)13(14-5)11(4)8-12/h9-14H,6-8H2,1-5H3
InChIKeyPTPPCRSBDRWCPS-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine (CID 144523247) is N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine is CNC1C(C)CC(CC(C)C)CC1C.
What is the InChIKey of N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is PTPPCRSBDRWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)6-12-7-10(3)13(14-5)11(4)8-12/h9-14H,6-8H2,1-5H3.
What are the key properties of N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine?
N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 144523247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).