2-methyl-2-(pentan-3-ylamino)butan-1-ol

C10H23NO — CID 78996542

IUPAC2-methyl-2-(pentan-3-ylamino)butan-1-ol
SMILESCCC(CC)NC(C)(CC)CO
InChIInChI=1S/C10H23NO/c1-5-9(6-2)11-10(4,7-3)8-12/h9,11-12H,5-8H2,1-4H3
InChIKeyBDXCYQICJDABMO-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds6

About 2-methyl-2-(pentan-3-ylamino)butan-1-ol

2-methyl-2-(pentan-3-ylamino)butan-1-ol (PubChem CID 78996542) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-methyl-2-(pentan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(pentan-3-ylamino)butan-1-ol
PubChem CID78996542
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-methyl-2-(pentan-3-ylamino)butan-1-ol
SMILESCCC(CC)NC(C)(CC)CO
InChIInChI=1S/C10H23NO/c1-5-9(6-2)11-10(4,7-3)8-12/h9,11-12H,5-8H2,1-4H3
InChIKeyBDXCYQICJDABMO-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-pentan-3-ylpentan-3-amine
CID 103931898
2-(pentan-3-ylamino)propan-2-ol
CID 173163807
2-(1-hydroxypropylamino)-2-methylpropane-1,3-diol
CID 87771236
2-(heptan-2-ylamino)-2-methylbutan-1-ol
CID 111434889
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356
methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
CID 79397397
2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 156729799
propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
CID 64557205
2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64548728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pentan-3-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-2-(pentan-3-ylamino)butan-1-ol (CID 78996542) is 2-methyl-2-(pentan-3-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(pentan-3-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-2-(pentan-3-ylamino)butan-1-ol is CCC(CC)NC(C)(CC)CO.
What is the InChIKey of 2-methyl-2-(pentan-3-ylamino)butan-1-ol?
The InChIKey is BDXCYQICJDABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(6-2)11-10(4,7-3)8-12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-(pentan-3-ylamino)butan-1-ol?
2-methyl-2-(pentan-3-ylamino)butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pentan-3-ylamino)butan-1-ol is sourced from PubChem (CID 78996542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).