2-(pentan-3-ylamino)propan-2-ol

C8H19NO — CID 173163807

IUPAC2-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NC(C)(C)O
InChIInChI=1S/C8H19NO/c1-5-7(6-2)9-8(3,4)10/h7,9-10H,5-6H2,1-4H3
InChIKeyPNAUJFURICOIBN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.49
Rot. Bonds4

About 2-(pentan-3-ylamino)propan-2-ol

2-(pentan-3-ylamino)propan-2-ol (PubChem CID 173163807) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-(pentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(pentan-3-ylamino)propan-2-ol
PubChem CID173163807
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NC(C)(C)O
InChIInChI=1S/C8H19NO/c1-5-7(6-2)9-8(3,4)10/h7,9-10H,5-6H2,1-4H3
InChIKeyPNAUJFURICOIBN-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(pentan-3-ylamino)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

Related Compounds

3-methyl-N-pentan-3-ylpentan-3-amine
CID 103931898
2-methyl-2-(pentan-3-ylamino)butan-1-ol
CID 78996542
2-[2-(methylamino)butylamino]propan-2-ol
CID 87480587
2-methyl-1-(5-methylheptan-3-ylamino)propan-2-ol
CID 65102784
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356
1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
3-[(pentan-3-ylamino)methyl]pentan-3-ol
CID 65105308
2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 156729799
1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate
CID 173445935
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
CID 65111812
triethyl(2-hydroxypropan-2-yl)phosphanium
CID 102268040
2-(2,2-dimethylpropylamino)butan-1-ol
CID 61323905

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-3-ylamino)propan-2-ol?
The IUPAC name of 2-(pentan-3-ylamino)propan-2-ol (CID 173163807) is 2-(pentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 2-(pentan-3-ylamino)propan-2-ol?
The canonical SMILES for 2-(pentan-3-ylamino)propan-2-ol is CCC(CC)NC(C)(C)O.
What is the InChIKey of 2-(pentan-3-ylamino)propan-2-ol?
The InChIKey is PNAUJFURICOIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-7(6-2)9-8(3,4)10/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 2-(pentan-3-ylamino)propan-2-ol?
2-(pentan-3-ylamino)propan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 173163807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).