3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol

C10H23NO4 — CID 22382378

IUPAC3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol
SMILESCCCC(N)(C(CO)CO)C(CO)CO
InChIInChI=1S/C10H23NO4/c1-2-3-10(11,8(4-12)5-13)9(6-14)7-15/h8-9,12-15H,2-7,11H2,1H3
InChIKeyBCUOHRGQCSJQLW-UHFFFAOYSA-N
MW221.30 g/mol
LogP-1.31
Rot. Bonds8

About 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol

3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol (PubChem CID 22382378) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol.

Molecular Properties

Compound Name3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol
PubChem CID22382378
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol
SMILESCCCC(N)(C(CO)CO)C(CO)CO
InChIInChI=1S/C10H23NO4/c1-2-3-10(11,8(4-12)5-13)9(6-14)7-15/h8-9,12-15H,2-7,11H2,1H3
InChIKeyBCUOHRGQCSJQLW-UHFFFAOYSA-N
XLogP-1.31
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-5-propyloctan-4-ol
CID 18625026
4-amino-5-propyloctan-4-ol;hydrochloride
CID 173241712
(2S)-2-amino-2-propylbutane-1,4-diol
CID 174635362
3-aminohexane-2,3-diol
CID 87595978
3,3-dimethylhexane-1,2-diol
CID 54538112
2-(2-fluoropropan-2-yl)pentan-1-ol
CID 84763082
hexane-3,3-diamine
CID 18331048
2-propylpentane-1,1,1,2-tetramine
CID 141463069
(2S)-2-butyl-3-methylbutane-1,3-diol
CID 139881591
5-ethyl-2-methylheptane-1,5-diol
CID 174921855
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol?
The IUPAC name of 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol (CID 22382378) is 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol.
What is the SMILES notation for 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol?
The canonical SMILES for 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol is CCCC(N)(C(CO)CO)C(CO)CO.
What is the InChIKey of 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol?
The InChIKey is BCUOHRGQCSJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-2-3-10(11,8(4-12)5-13)9(6-14)7-15/h8-9,12-15H,2-7,11H2,1H3.
What are the key properties of 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol?
3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol has a molecular weight of 221.30 g/mol, XLogP of -1.31, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-bis(hydroxymethyl)-3-propylpentane-1,5-diol is sourced from PubChem (CID 22382378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).