2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol

C15H32N2O — CID 142022444

IUPAC2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol
SMILESCNCCC1=CCCCC1.CNCCCCCO
InChIInChI=1S/C9H17N.C6H15NO/c1-10-8-7-9-5-3-2-4-6-9;1-7-5-3-2-4-6-8/h5,10H,2-4,6-8H2,1H3;7-8H,2-6H2,1H3
InChIKeyWOPSIESNBMJMGC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.46
Rot. Bonds8

About 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol

2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol (PubChem CID 142022444) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol
PubChem CID142022444
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol
SMILESCNCCC1=CCCCC1.CNCCCCCO
InChIInChI=1S/C9H17N.C6H15NO/c1-10-8-7-9-5-3-2-4-6-9;1-7-5-3-2-4-6-8/h5,10H,2-4,6-8H2,1H3;7-8H,2-6H2,1H3
InChIKeyWOPSIESNBMJMGC-UHFFFAOYSA-N
XLogP2.46
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol (CID 142022444) is 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol is CNCCC1=CCCCC1.CNCCCCCO.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol?
The InChIKey is WOPSIESNBMJMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C6H15NO/c1-10-8-7-9-5-3-2-4-6-9;1-7-5-3-2-4-6-8/h5,10H,2-4,6-8H2,1H3;7-8H,2-6H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol?
2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methylethanamine;5-(methylamino)pentan-1-ol is sourced from PubChem (CID 142022444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).