1-amino-3-(2-methylpentoxy)propan-2-ol

C9H21NO2 — CID 21301787

IUPAC1-amino-3-(2-methylpentoxy)propan-2-ol
SMILESCCCC(C)COCC(O)CN
InChIInChI=1S/C9H21NO2/c1-3-4-8(2)6-12-7-9(11)5-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFTMKBPICWNLSBZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.76
Rot. Bonds7

About 1-amino-3-(2-methylpentoxy)propan-2-ol

1-amino-3-(2-methylpentoxy)propan-2-ol (PubChem CID 21301787) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-amino-3-(2-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methylpentoxy)propan-2-ol
PubChem CID21301787
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-amino-3-(2-methylpentoxy)propan-2-ol
SMILESCCCC(C)COCC(O)CN
InChIInChI=1S/C9H21NO2/c1-3-4-8(2)6-12-7-9(11)5-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFTMKBPICWNLSBZ-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(2-methylpentoxy)propan-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-3-(2-methylpentoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2-methylpentoxy)propan-2-ol (CID 21301787) is 1-amino-3-(2-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-methylpentoxy)propan-2-ol is CCCC(C)COCC(O)CN.
What is the InChIKey of 1-amino-3-(2-methylpentoxy)propan-2-ol?
The InChIKey is FTMKBPICWNLSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-4-8(2)6-12-7-9(11)5-10/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-3-(2-methylpentoxy)propan-2-ol?
1-amino-3-(2-methylpentoxy)propan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylpentoxy)propan-2-ol is sourced from PubChem (CID 21301787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).