cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine

C11H23N — CID 124709757

IUPACcis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
SMILESCC[C@H](C)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C11H23N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h9-12H,4-8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyOIZHKVFLWCNMPM-VWYCJHECSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds3

About cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine

cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine (PubChem CID 124709757) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
PubChem CID124709757
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Namecis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
SMILESCC[C@H](C)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C11H23N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h9-12H,4-8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyOIZHKVFLWCNMPM-VWYCJHECSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
2-methyl-N-[1-(2-methylpropoxy)propan-2-yl]cyclohexan-1-amine
CID 115889323
N-(1-ethylsulfanylpropan-2-yl)-2-methylcyclopentan-1-amine
CID 115725602
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
N-hex-5-en-2-yl-2-methylcyclohexan-1-amine
CID 104581310
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine (CID 124709757) is cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine is CC[C@H](C)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine?
The InChIKey is OIZHKVFLWCNMPM-VWYCJHECSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h9-12H,4-8H2,1-3H3/t9-,10+,11+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine?
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 124709757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).