4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol

C14H27NO — CID 86799433

IUPAC4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol
SMILESCC1=CCCC(C)C1CNC(C)CCCO
InChIInChI=1S/C14H27NO/c1-11-6-4-7-12(2)14(11)10-15-13(3)8-5-9-16/h6,12-16H,4-5,7-10H2,1-3H3
InChIKeyIIYKRXGZKIPFKQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds6

About 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol

4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol (PubChem CID 86799433) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol
PubChem CID86799433
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol
SMILESCC1=CCCC(C)C1CNC(C)CCCO
InChIInChI=1S/C14H27NO/c1-11-6-4-7-12(2)14(11)10-15-13(3)8-5-9-16/h6,12-16H,4-5,7-10H2,1-3H3
InChIKeyIIYKRXGZKIPFKQ-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol (CID 86799433) is 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol is CC1=CCCC(C)C1CNC(C)CCCO.
What is the InChIKey of 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol?
The InChIKey is IIYKRXGZKIPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-6-4-7-12(2)14(11)10-15-13(3)8-5-9-16/h6,12-16H,4-5,7-10H2,1-3H3.
What are the key properties of 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol?
4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 86799433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).