(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol

C12H25NO — CID 124710122

IUPAC(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C12H25NO/c1-10-6-3-4-8-12(10)13-11(2)7-5-9-14/h10-14H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeySGFNAQCPGDDHSM-UTUOFQBUSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol

(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol (PubChem CID 124710122) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
PubChem CID124710122
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C12H25NO/c1-10-6-3-4-8-12(10)13-11(2)7-5-9-14/h10-14H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeySGFNAQCPGDDHSM-UTUOFQBUSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol with MolForge

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Related Compounds

(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol
CID 97051545
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
N-hex-5-en-2-yl-2-methylcyclohexan-1-amine
CID 104581310
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107
(4R)-4-[[(3S)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852109
2-methyl-N-[1-(2-methylpropoxy)propan-2-yl]cyclohexan-1-amine
CID 115889323
3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
CID 83176423
(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124526620
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol (CID 124710122) is (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol is C[C@H](CCCO)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol?
The InChIKey is SGFNAQCPGDDHSM-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-6-3-4-8-12(10)13-11(2)7-5-9-14/h10-14H,3-9H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol?
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 124710122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).