1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol

C9H21NO2 — CID 19706253

IUPAC1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
SMILESCC(C)C(O)(C(C)C)C(O)CN
InChIInChI=1S/C9H21NO2/c1-6(2)9(12,7(3)4)8(11)5-10/h6-8,11-12H,5,10H2,1-4H3
InChIKeyBYVLCABEANWLRG-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.35
Rot. Bonds4

About 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol

1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol (PubChem CID 19706253) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol.

Molecular Properties

Compound Name1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
PubChem CID19706253
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
SMILESCC(C)C(O)(C(C)C)C(O)CN
InChIInChI=1S/C9H21NO2/c1-6(2)9(12,7(3)4)8(11)5-10/h6-8,11-12H,5,10H2,1-4H3
InChIKeyBYVLCABEANWLRG-UHFFFAOYSA-N
XLogP0.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-methyl-3-propan-2-ylpentane-2,3-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

1-amino-3,3,4-trimethylpentan-2-ol
CID 83694403
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
1-amino-3-propylhexane-2,3-diol
CID 90113292
2-amino-4-methyl-3-propan-2-ylpentan-3-ol
CID 18373819
(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
CID 129368619
3-amino-2-methylpropane-1,1,1-triol
CID 18979369
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
aminomethyl(trimethyl)phosphanium;carbanide
CID 159656059
1-amino-3-methoxy-3-methylbutan-2-ol
CID 55285086
1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol?
The IUPAC name of 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol (CID 19706253) is 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol.
What is the SMILES notation for 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol?
The canonical SMILES for 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol is CC(C)C(O)(C(C)C)C(O)CN.
What is the InChIKey of 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol?
The InChIKey is BYVLCABEANWLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-6(2)9(12,7(3)4)8(11)5-10/h6-8,11-12H,5,10H2,1-4H3.
What are the key properties of 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol?
1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol has a molecular weight of 175.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol is sourced from PubChem (CID 19706253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).