trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol

C9H19NO — CID 11030075

IUPACtrans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyNXBJSUOOKXVSFX-IUCAKERBSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds2

About trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol (PubChem CID 11030075) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol
PubChem CID11030075
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyNXBJSUOOKXVSFX-IUCAKERBSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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)cyclohexan-1-ol
CID 316731

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol (CID 11030075) is trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol is CC(C)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol?
The InChIKey is NXBJSUOOKXVSFX-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(propan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 11030075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).