5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine

C13H27N — CID 574419

IUPAC5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)C)C1
InChIInChI=1S/C13H27N/c1-9(2)12-7-6-11(5)8-13(12)14-10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyCVSPPCVCFBKWLC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds3

About 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine

5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine (PubChem CID 574419) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine
PubChem CID574419
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)C)C1
InChIInChI=1S/C13H27N/c1-9(2)12-7-6-11(5)8-13(12)14-10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyCVSPPCVCFBKWLC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine?
The IUPAC name of 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine (CID 574419) is 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine is CC1CCC(C(C)C)C(NC(C)C)C1.
What is the InChIKey of 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine?
The InChIKey is CVSPPCVCFBKWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)12-7-6-11(5)8-13(12)14-10(3)4/h9-14H,6-8H2,1-5H3.
What are the key properties of 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine?
5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,2-di(propan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 574419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).