5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol

C14H27NO — CID 107316783

IUPAC5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
SMILESCC1=CC(C)CC(CNCCCCCO)C1
InChIInChI=1S/C14H27NO/c1-12-8-13(2)10-14(9-12)11-15-6-4-3-5-7-16/h8,12,14-16H,3-7,9-11H2,1-2H3
InChIKeyNDMKXWWUJDSPSO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds7

About 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol

5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol (PubChem CID 107316783) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
PubChem CID107316783
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
SMILESCC1=CC(C)CC(CNCCCCCO)C1
InChIInChI=1S/C14H27NO/c1-12-8-13(2)10-14(9-12)11-15-6-4-3-5-7-16/h8,12,14-16H,3-7,9-11H2,1-2H3
InChIKeyNDMKXWWUJDSPSO-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol (CID 107316783) is 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol is CC1=CC(C)CC(CNCCCCCO)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
The InChIKey is NDMKXWWUJDSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-8-13(2)10-14(9-12)11-15-6-4-3-5-7-16/h8,12,14-16H,3-7,9-11H2,1-2H3.
What are the key properties of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol?
5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107316783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).