4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol

C15H29NO — CID 134232751

IUPAC4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCC(CC)CCNCC1CCC(O)CC1
InChIInChI=1S/C15H29NO/c1-3-5-13(4-2)10-11-16-12-14-6-8-15(17)9-7-14/h3,13-17H,1,4-12H2,2H3
InChIKeyFRDFNVSLRRLNCX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds8

About 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol

4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol (PubChem CID 134232751) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol
PubChem CID134232751
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCC(CC)CCNCC1CCC(O)CC1
InChIInChI=1S/C15H29NO/c1-3-5-13(4-2)10-11-16-12-14-6-8-15(17)9-7-14/h3,13-17H,1,4-12H2,2H3
InChIKeyFRDFNVSLRRLNCX-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.12
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-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol (CID 134232751) is 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol is C=CCC(CC)CCNCC1CCC(O)CC1.
What is the InChIKey of 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is FRDFNVSLRRLNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-13(4-2)10-11-16-12-14-6-8-15(17)9-7-14/h3,13-17H,1,4-12H2,2H3.
What are the key properties of 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol?
4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylhex-5-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 134232751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).