4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol

C11H21NO — CID 106132895

IUPAC4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol
SMILESC/C=C/CNCC1CCC(O)CC1
InChIInChI=1S/C11H21NO/c1-2-3-8-12-9-10-4-6-11(13)7-5-10/h2-3,10-13H,4-9H2,1H3/b3-2+
InChIKeyFTTTZKXNMLSZLB-NSCUHMNNSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds4

About 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol

4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132895) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132895
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol
SMILESC/C=C/CNCC1CCC(O)CC1
InChIInChI=1S/C11H21NO/c1-2-3-8-12-9-10-4-6-11(13)7-5-10/h2-3,10-13H,4-9H2,1H3/b3-2+
InChIKeyFTTTZKXNMLSZLB-NSCUHMNNSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
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'}

Analyze 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol 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

(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
2-ethyl-4-[(4-hydroxycyclohexyl)methylamino]but-2-enoic acid
CID 106137074
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
(E)-N-[[2-(chloromethyl)cyclohexyl]methyl]but-2-en-1-amine
CID 107897717
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
CID 106133697
(E)-N,N'-bis[3-(cyclopropylmethylamino)propyl]but-2-ene-1,4-diamine
CID 19956427
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
CID 106025065
4-[(2-methoxypropylamino)methyl]cyclohexan-1-ol
CID 106133687
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol (CID 106132895) is 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol is C/C=C/CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is FTTTZKXNMLSZLB-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-8-12-9-10-4-6-11(13)7-5-10/h2-3,10-13H,4-9H2,1H3/b3-2+.
What are the key properties of 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol?
4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).