2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol

C10H19NO — CID 173029934

IUPAC2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1CCC(O)C(CN)C1
InChIInChI=1S/C10H19NO/c1-2-3-8-4-5-10(12)9(6-8)7-11/h2,8-10,12H,1,3-7,11H2
InChIKeyWDCIUPWPLIFNET-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.30
Rot. Bonds3

About 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol

2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol (PubChem CID 173029934) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol
PubChem CID173029934
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1CCC(O)C(CN)C1
InChIInChI=1S/C10H19NO/c1-2-3-8-4-5-10(12)9(6-8)7-11/h2,8-10,12H,1,3-7,11H2
InChIKeyWDCIUPWPLIFNET-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol (CID 173029934) is 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol is C=CCC1CCC(O)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol?
The InChIKey is WDCIUPWPLIFNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-4-5-10(12)9(6-8)7-11/h2,8-10,12H,1,3-7,11H2.
What are the key properties of 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol?
2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 173029934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).