1-(2-methylbutylamino)pentan-3-ol

C10H23NO — CID 115887931

IUPAC1-(2-methylbutylamino)pentan-3-ol
SMILESCCC(C)CNCCC(O)CC
InChIInChI=1S/C10H23NO/c1-4-9(3)8-11-7-6-10(12)5-2/h9-12H,4-8H2,1-3H3
InChIKeySQXJZVQDAJNGSZ-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds7

About 1-(2-methylbutylamino)pentan-3-ol

1-(2-methylbutylamino)pentan-3-ol (PubChem CID 115887931) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-(2-methylbutylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(2-methylbutylamino)pentan-3-ol
PubChem CID115887931
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-(2-methylbutylamino)pentan-3-ol
SMILESCCC(C)CNCCC(O)CC
InChIInChI=1S/C10H23NO/c1-4-9(3)8-11-7-6-10(12)5-2/h9-12H,4-8H2,1-3H3
InChIKeySQXJZVQDAJNGSZ-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methylbutylamino)pentan-3-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

1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol
CID 106932604
4-methyl-1-(2-methylbutylamino)pentan-3-ol
CID 115887689
5-(2-methylbutylamino)pentan-2-ol
CID 107267802
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
2-(3-hydroxypentylamino)acetic acid
CID 91143486
7-methylnonan-3-ol
CID 64515833
2-(2-methylbutylamino)ethylurea
CID 83109541
1-[(3-chloro-2-methylprop-2-enyl)amino]pentan-3-ol
CID 106438119
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylamino)pentan-3-ol?
The IUPAC name of 1-(2-methylbutylamino)pentan-3-ol (CID 115887931) is 1-(2-methylbutylamino)pentan-3-ol.
What is the SMILES notation for 1-(2-methylbutylamino)pentan-3-ol?
The canonical SMILES for 1-(2-methylbutylamino)pentan-3-ol is CCC(C)CNCCC(O)CC.
What is the InChIKey of 1-(2-methylbutylamino)pentan-3-ol?
The InChIKey is SQXJZVQDAJNGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-9(3)8-11-7-6-10(12)5-2/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(2-methylbutylamino)pentan-3-ol?
1-(2-methylbutylamino)pentan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylamino)pentan-3-ol is sourced from PubChem (CID 115887931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).