cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol

C10H21NO — CID 93317475

IUPACcis-(1S,2R)-2-(butylamino)cyclohexan-1-ol
SMILESCCCCN[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H21NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h9-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyTYZGMUNLUOLITL-ZJUUUORDSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds4

About cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol

cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol (PubChem CID 93317475) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(butylamino)cyclohexan-1-ol
PubChem CID93317475
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1S,2R)-2-(butylamino)cyclohexan-1-ol
SMILESCCCCN[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H21NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h9-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyTYZGMUNLUOLITL-ZJUUUORDSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Propanol, 1-(cyclohexylamino)-
CID 7630
1-(Piperidin-2-yl)propan-1-ol
CID 10314
1-(Cyclohexylamino)hexadecan-2-ol
CID 10337278
1-(Propan-2-ylamino)hexadecan-2-ol
CID 20261248
2-(Dimethylamino)cyclohexanol
CID 97890
(3S,6S)-6-Propyl-3-piperidinol
CID 120641
Conhydrine
CID 11744748
1-(Piperidin-2-yl)ethan-1-ol
CID 335682
2-[2-[(2-Hydroxycyclohexyl)amino]ethylamino]cyclohexanol
CID 258227
rac-(1R,2R)-2-(methylamino)cyclohexan-1-ol
CID 12847193
(1-Ethyl-propyl)-(2-methoxy-cyclohexyl)-amine
CID 3126341
2-Methylamino-cyclohexanol
CID 316731

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol (CID 93317475) is cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol is CCCCN[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol?
The InChIKey is TYZGMUNLUOLITL-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h9-12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol?
cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol is sourced from PubChem (CID 93317475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).