(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C10H21N — CID 12597888

IUPAC(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N
InChIInChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyRBMUAGDCCJDQLE-UTLUCORTSA-N
MW155.28 g/mol
LogP2.41
Rot. Bonds1

About (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine

(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 12597888) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID12597888
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N
InChIInChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyRBMUAGDCCJDQLE-UTLUCORTSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexylethylamine
CID 110733
4-tert-Butylcyclohexylamine
CID 79396
1-Cyclohexylpropan-2-amine
CID 115665
1-Cyclohexylethan-1-amine hydrochloride
CID 214023
2-(Isopropyl)-5-methylcyclohexylamine
CID 89497
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
2,3-Dimethylcyclohexylamine
CID 123507
(-)-Menthylamine
CID 222068
4-(2-Methylpentyl)cyclohexanamine
CID 99093
3,5-Dimethylcyclohexan-1-amine
CID 14675374
4-Butylcyclohexylamine
CID 425326

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 12597888) is (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N.
What is the InChIKey of (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is RBMUAGDCCJDQLE-UTLUCORTSA-N. The full InChI is InChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 12597888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).