2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol

C12H24N2O2 — CID 64795516

IUPAC2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol
SMILESCC1COCCN1CCC(CO)NC1CC1
InChIInChI=1S/C12H24N2O2/c1-10-9-16-7-6-14(10)5-4-12(8-15)13-11-2-3-11/h10-13,15H,2-9H2,1H3
InChIKeyDIETZHWJWNFCRB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds6

About 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol

2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol (PubChem CID 64795516) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol
PubChem CID64795516
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol
SMILESCC1COCCN1CCC(CO)NC1CC1
InChIInChI=1S/C12H24N2O2/c1-10-9-16-7-6-14(10)5-4-12(8-15)13-11-2-3-11/h10-13,15H,2-9H2,1H3
InChIKeyDIETZHWJWNFCRB-UHFFFAOYSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol (CID 64795516) is 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol is CC1COCCN1CCC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol?
The InChIKey is DIETZHWJWNFCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-9-16-7-6-14(10)5-4-12(8-15)13-11-2-3-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol?
2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol is sourced from PubChem (CID 64795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).