[4-(ethylaminomethyl)cyclohexen-1-yl]methanol

C10H19NO — CID 123453013

IUPAC[4-(ethylaminomethyl)cyclohexen-1-yl]methanol
SMILESCCNCC1CC=C(CO)CC1
InChIInChI=1S/C10H19NO/c1-2-11-7-9-3-5-10(8-12)6-4-9/h5,9,11-12H,2-4,6-8H2,1H3
InChIKeyKCXRBEHESYDJAY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds4

About [4-(ethylaminomethyl)cyclohexen-1-yl]methanol

[4-(ethylaminomethyl)cyclohexen-1-yl]methanol (PubChem CID 123453013) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [4-(ethylaminomethyl)cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[4-(ethylaminomethyl)cyclohexen-1-yl]methanol
PubChem CID123453013
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[4-(ethylaminomethyl)cyclohexen-1-yl]methanol
SMILESCCNCC1CC=C(CO)CC1
InChIInChI=1S/C10H19NO/c1-2-11-7-9-3-5-10(8-12)6-4-9/h5,9,11-12H,2-4,6-8H2,1H3
InChIKeyKCXRBEHESYDJAY-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(ethylaminomethyl)cyclohexen-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,4a,5,6,7-Octahydroisoquinolin-1-ol
CID 21995419
[4-(1,2,3,6-Tetrahydropyridin-4-yl)cyclohexen-1-yl]methanol
CID 68199880
(E,5S)-2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)hept-2-en-1-ol
CID 68213288
2-Methylidene-5-(1,2,3,6-tetrahydropyridin-4-yl)hexan-1-ol
CID 68213303
(E)-2-[2-(1,2,3,4-tetrahydropyridin-3-yl)propyl]pent-2-en-1-ol
CID 68213337
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
(4-Pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
CID 70034791
[6-[3-(Propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol
CID 88975977
Amino-[4-(aminomethyl)cyclohexen-1-yl]methanol
CID 89038782
(4-But-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol
CID 89078278
[4-[3-(Methylamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-yl]methanol
CID 117808375
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)cyclohexen-1-yl]methanol?
The IUPAC name of [4-(ethylaminomethyl)cyclohexen-1-yl]methanol (CID 123453013) is [4-(ethylaminomethyl)cyclohexen-1-yl]methanol.
What is the SMILES notation for [4-(ethylaminomethyl)cyclohexen-1-yl]methanol?
The canonical SMILES for [4-(ethylaminomethyl)cyclohexen-1-yl]methanol is CCNCC1CC=C(CO)CC1.
What is the InChIKey of [4-(ethylaminomethyl)cyclohexen-1-yl]methanol?
The InChIKey is KCXRBEHESYDJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-11-7-9-3-5-10(8-12)6-4-9/h5,9,11-12H,2-4,6-8H2,1H3.
What are the key properties of [4-(ethylaminomethyl)cyclohexen-1-yl]methanol?
[4-(ethylaminomethyl)cyclohexen-1-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)cyclohexen-1-yl]methanol is sourced from PubChem (CID 123453013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).