4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol

C13H25NO — CID 170714329

IUPAC4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
SMILESC=C(O)C(CC1CCCCC1)NC(C)C
InChIInChI=1S/C13H25NO/c1-10(2)14-13(11(3)15)9-12-7-5-4-6-8-12/h10,12-15H,3-9H2,1-2H3
InChIKeyVAXARVZUPXZXSP-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.40
Rot. Bonds5

About 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol

4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol (PubChem CID 170714329) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
PubChem CID170714329
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
SMILESC=C(O)C(CC1CCCCC1)NC(C)C
InChIInChI=1S/C13H25NO/c1-10(2)14-13(11(3)15)9-12-7-5-4-6-8-12/h10,12-15H,3-9H2,1-2H3
InChIKeyVAXARVZUPXZXSP-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
1-[4-(Propan-2-ylamino)cyclohexyl]ethenol
CID 58404417
(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 59881047
(1S,2S,4R)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 59881056
6-Cyclohexyl-2-methyl-1,2,3,6-tetrahydropyridin-5-ol
CID 68094531
6-Cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol
CID 89022011
1-[3-(Methylamino)cyclohexyl]ethenol
CID 89343275
3-Amino-4-cyclohexylbut-1-en-2-ol
CID 141920440
3-Amino-5-ethyloct-1-en-2-ol
CID 141991488
4-[(Butan-2-ylamino)methyl]hept-1-en-2-ol
CID 156325451
methane;(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 162238862

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol?
The IUPAC name of 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol (CID 170714329) is 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol.
What is the SMILES notation for 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol?
The canonical SMILES for 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol is C=C(O)C(CC1CCCCC1)NC(C)C.
What is the InChIKey of 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol?
The InChIKey is VAXARVZUPXZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)14-13(11(3)15)9-12-7-5-4-6-8-12/h10,12-15H,3-9H2,1-2H3.
What are the key properties of 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol?
4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol has a molecular weight of 211.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol is sourced from PubChem (CID 170714329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).