1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol

C13H25NO — CID 95377558

IUPAC1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
SMILESC[C@H]1CCC[C@@H]1NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO/c1-11-6-5-7-12(11)14-10-13(15)8-3-2-4-9-13/h11-12,14-15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyMFLJBNALLNXJHX-RYUDHWBXSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds3

About 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol

1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol (PubChem CID 95377558) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
PubChem CID95377558
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
SMILESC[C@H]1CCC[C@@H]1NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO/c1-11-6-5-7-12(11)14-10-13(15)8-3-2-4-9-13/h11-12,14-15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyMFLJBNALLNXJHX-RYUDHWBXSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717
4-hydroxy-4-[[(2-methylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499521
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 81345241
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107657
1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol
CID 79357879
1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116763
N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol (CID 95377558) is 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol is C[C@H]1CCC[C@@H]1NCC1(O)CCCCC1.
What is the InChIKey of 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MFLJBNALLNXJHX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-6-5-7-12(11)14-10-13(15)8-3-2-4-9-13/h11-12,14-15H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol?
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95377558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).