[1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol

C14H25NO — CID 79138015

IUPAC[1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCCCC1
InChIInChI=1S/C14H25NO/c15-11-14(9-5-2-6-10-14)13(16)12-7-3-1-4-8-12/h1,3,12-13,16H,2,4-11,15H2
InChIKeyVOCLPQWKLBAZKP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.61
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol

[1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol (PubChem CID 79138015) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol
PubChem CID79138015
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCCCC1
InChIInChI=1S/C14H25NO/c15-11-14(9-5-2-6-10-14)13(16)12-7-3-1-4-8-12/h1,3,12-13,16H,2,4-11,15H2
InChIKeyVOCLPQWKLBAZKP-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.61
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 [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol (CID 79138015) is [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol is NCC1(C(O)C2CC=CCC2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol?
The InChIKey is VOCLPQWKLBAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-11-14(9-5-2-6-10-14)13(16)12-7-3-1-4-8-12/h1,3,12-13,16H,2,4-11,15H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol?
[1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol has a molecular weight of 223.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 79138015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).