1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol

C13H25NO — CID 10420692

IUPAC1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol
SMILESC=C(CNCCCC)C1(O)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-4-10-14-11-12(2)13(15)8-6-5-7-9-13/h14-15H,2-11H2,1H3
InChIKeyJBGVZSYJBYPBPZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds6

About 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol

1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol (PubChem CID 10420692) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol
PubChem CID10420692
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol
SMILESC=C(CNCCCC)C1(O)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-4-10-14-11-12(2)13(15)8-6-5-7-9-13/h14-15H,2-11H2,1H3
InChIKeyJBGVZSYJBYPBPZ-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol
CID 147205425
1-[3-(Butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10400546
(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14964967
1-[(2-Methylidenebutylamino)methyl]cyclohexan-1-ol
CID 66045241
4-(Methylamino)-1-prop-1-en-2-ylcyclohexan-1-ol
CID 79177328
4-(Ethylamino)-1-prop-1-en-2-ylcyclohexan-1-ol
CID 79177544
1-Prop-1-en-2-yl-4-(propylamino)cyclohexan-1-ol
CID 79177773
2-(Cyclohexen-1-yl)-4-(methylamino)butan-2-ol
CID 106654906
2-(Cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
2-(Cyclohexen-1-yl)-4-(propylamino)butan-2-ol
CID 106654912
2-(Cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
1-[(3-Methylbut-3-enylamino)methyl]cyclohexan-1-ol
CID 114472357

Frequently Asked Questions

What is the IUPAC name of 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol (CID 10420692) is 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol is C=C(CNCCCC)C1(O)CCCCC1.
What is the InChIKey of 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol?
The InChIKey is JBGVZSYJBYPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-10-14-11-12(2)13(15)8-6-5-7-9-13/h14-15H,2-11H2,1H3.
What are the key properties of 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol?
1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butylamino)prop-1-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10420692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).