(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine

C12H25N — CID 124710315

IUPAC(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
SMILESCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C12H25N/c1-5-10(3)13-12-8-6-7-9(2)11(12)4/h9-13H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1
InChIKeyUSROIRBNYXPKKK-NNYUYHANSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds3

About (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine

(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 124710315) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
PubChem CID124710315
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
SMILESCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C12H25N/c1-5-10(3)13-12-8-6-7-9(2)11(12)4/h9-13H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1
InChIKeyUSROIRBNYXPKKK-NNYUYHANSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine
CID 119039306
2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79548793
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
CID 43765373
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine (CID 124710315) is (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine is CC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C.
What is the InChIKey of (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is USROIRBNYXPKKK-NNYUYHANSA-N. The full InChI is InChI=1S/C12H25N/c1-5-10(3)13-12-8-6-7-9(2)11(12)4/h9-13H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine?
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 124710315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).