4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol

C14H27NO — CID 111118061

IUPAC4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol
SMILESC=CCN(CCCCO)CC1CCCCC1
InChIInChI=1S/C14H27NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h2,14,16H,1,3-13H2
InChIKeyJPWHAFWNBVXSTK-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds8

About 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol

4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol (PubChem CID 111118061) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol
PubChem CID111118061
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol
SMILESC=CCN(CCCCO)CC1CCCCC1
InChIInChI=1S/C14H27NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h2,14,16H,1,3-13H2
InChIKeyJPWHAFWNBVXSTK-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol?
The IUPAC name of 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol (CID 111118061) is 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol.
What is the SMILES notation for 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol?
The canonical SMILES for 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol is C=CCN(CCCCO)CC1CCCCC1.
What is the InChIKey of 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol?
The InChIKey is JPWHAFWNBVXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h2,14,16H,1,3-13H2.
What are the key properties of 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol?
4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol is sourced from PubChem (CID 111118061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).