1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol

C13H25NO — CID 65118243

IUPAC1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESC=CCCNCC1(O)CCC(CC)CC1
InChIInChI=1S/C13H25NO/c1-3-5-10-14-11-13(15)8-6-12(4-2)7-9-13/h3,12,14-15H,1,4-11H2,2H3
InChIKeyGBULZXSGJUIIRU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65118243) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65118243
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESC=CCCNCC1(O)CCC(CC)CC1
InChIInChI=1S/C13H25NO/c1-3-5-10-14-11-13(15)8-6-12(4-2)7-9-13/h3,12,14-15H,1,4-11H2,2H3
InChIKeyGBULZXSGJUIIRU-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol (CID 65118243) is 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol is C=CCCNCC1(O)CCC(CC)CC1.
What is the InChIKey of 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is GBULZXSGJUIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-10-14-11-13(15)8-6-12(4-2)7-9-13/h3,12,14-15H,1,4-11H2,2H3.
What are the key properties of 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(but-3-enylamino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65118243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).