1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol

C12H26N2O — CID 64821335

IUPAC1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N(C)C(C)C1CC1
InChIInChI=1S/C12H26N2O/c1-9(7-12(3,15)8-13)14(4)10(2)11-5-6-11/h9-11,15H,5-8,13H2,1-4H3
InChIKeyVOWMUJPUDJRQRE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds6

About 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol

1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol (PubChem CID 64821335) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol
PubChem CID64821335
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N(C)C(C)C1CC1
InChIInChI=1S/C12H26N2O/c1-9(7-12(3,15)8-13)14(4)10(2)11-5-6-11/h9-11,15H,5-8,13H2,1-4H3
InChIKeyVOWMUJPUDJRQRE-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-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 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol (CID 64821335) is 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol is CC(CC(C)(O)CN)N(C)C(C)C1CC1.
What is the InChIKey of 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol?
The InChIKey is VOWMUJPUDJRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(7-12(3,15)8-13)14(4)10(2)11-5-6-11/h9-11,15H,5-8,13H2,1-4H3.
What are the key properties of 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol?
1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 64821335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).