1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol

C15H30N2O — CID 55024810

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCCC1=CCCCC1
InChIInChI=1S/C15H30N2O/c1-3-17(4-2)13-15(18)12-16-11-10-14-8-6-5-7-9-14/h8,15-16,18H,3-7,9-13H2,1-2H3
InChIKeyLPJQNIPISHQDFO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds9

About 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol

1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol (PubChem CID 55024810) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
PubChem CID55024810
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCCC1=CCCCC1
InChIInChI=1S/C15H30N2O/c1-3-17(4-2)13-15(18)12-16-11-10-14-8-6-5-7-9-14/h8,15-16,18H,3-7,9-13H2,1-2H3
InChIKeyLPJQNIPISHQDFO-UHFFFAOYSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
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 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol (CID 55024810) is 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
The InChIKey is LPJQNIPISHQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-17(4-2)13-15(18)12-16-11-10-14-8-6-5-7-9-14/h8,15-16,18H,3-7,9-13H2,1-2H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 55024810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).