4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol

C14H27NO — CID 65118678

IUPAC4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCNCC1(O)CCC(CC)CC1
InChIInChI=1S/C14H27NO/c1-3-5-6-11-15-12-14(16)9-7-13(4-2)8-10-14/h3,13,15-16H,1,4-12H2,2H3
InChIKeyRPIAAUDHCTUYJE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds7

About 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol

4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol (PubChem CID 65118678) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
PubChem CID65118678
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCNCC1(O)CCC(CC)CC1
InChIInChI=1S/C14H27NO/c1-3-5-6-11-15-12-14(16)9-7-13(4-2)8-10-14/h3,13,15-16H,1,4-12H2,2H3
InChIKeyRPIAAUDHCTUYJE-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
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 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol (CID 65118678) is 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol is C=CCCCNCC1(O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is RPIAAUDHCTUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-11-15-12-14(16)9-7-13(4-2)8-10-14/h3,13,15-16H,1,4-12H2,2H3.
What are the key properties of 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).