(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine

C15H31N — CID 134132065

IUPAC(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine
SMILESCC(C)CCC[C@](C)(N)C1CCC(C)CC1
InChIInChI=1S/C15H31N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h12-14H,5-11,16H2,1-4H3/t13?,14?,15-/m0/s1
InChIKeyUEMFTNTVZIEKOC-NRXISQOPSA-N
MW225.42 g/mol
LogP4.36
Rot. Bonds5

About (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine

(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine (PubChem CID 134132065) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine.

Molecular Properties

Compound Name(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine
PubChem CID134132065
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine
SMILESCC(C)CCC[C@](C)(N)C1CCC(C)CC1
InChIInChI=1S/C15H31N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h12-14H,5-11,16H2,1-4H3/t13?,14?,15-/m0/s1
InChIKeyUEMFTNTVZIEKOC-NRXISQOPSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine?
The IUPAC name of (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine (CID 134132065) is (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine.
What is the SMILES notation for (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine?
The canonical SMILES for (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine is CC(C)CCC[C@](C)(N)C1CCC(C)CC1.
What is the InChIKey of (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine?
The InChIKey is UEMFTNTVZIEKOC-NRXISQOPSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h12-14H,5-11,16H2,1-4H3/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine?
(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine is sourced from PubChem (CID 134132065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).