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

C13H23NO — CID 10330722

IUPAC3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
SMILESC=C(CNCCCC)C1=CC(O)CCC1
InChIInChI=1S/C13H23NO/c1-3-4-8-14-10-11(2)12-6-5-7-13(15)9-12/h9,13-15H,2-8,10H2,1H3
InChIKeyQPXZYUHQYSRUJZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.40
Rot. Bonds6

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

3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol (PubChem CID 10330722) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
PubChem CID10330722
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
SMILESC=C(CNCCCC)C1=CC(O)CCC1
InChIInChI=1S/C13H23NO/c1-3-4-8-14-10-11(2)12-6-5-7-13(15)9-12/h9,13-15H,2-8,10H2,1H3
InChIKeyQPXZYUHQYSRUJZ-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.40
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

(1R)-1-cyclohexa-1,3-dien-1-yl-2-(methylamino)ethanol
CID 68186953
CID 68213285
CID 68213285
2-Methylidene-5-(1,2,3,6-tetrahydropyridin-4-yl)hexan-1-ol
CID 68213303
8-Amino-1-(propan-2-ylamino)-1,2,5,6,7,8-hexahydronaphthalen-2-ol
CID 89636920
[4-[3-(Methylamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-yl]methanol
CID 117808375
[4-(1-Aminopropyl)cyclohexa-1,3-dien-1-yl]methanol
CID 122535947
4-[(4-Methylcyclohexa-1,3-dien-1-yl)methylamino]butan-2-ol
CID 123696256
N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide
CID 123920467
(1R)-4-(cyclohexen-1-yl)-1-(methylamino)butan-1-ol
CID 124143094
1-[4-[(Dimethylamino)methyl]cyclohexa-1,3-dien-1-yl]ethanol
CID 141893666
4-Ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
CID 147309129
1-(1,2,3,6-Tetrahydropyridin-4-yl)propan-1-ol
CID 154148870

Frequently Asked Questions

What is the IUPAC name of 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol (CID 10330722) is 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol is C=C(CNCCCC)C1=CC(O)CCC1.
What is the InChIKey of 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol?
The InChIKey is QPXZYUHQYSRUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-8-14-10-11(2)12-6-5-7-13(15)9-12/h9,13-15H,2-8,10H2,1H3.
What are the key properties of 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol?
3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 10330722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).