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

C9H21NO — CID 115921099

IUPAC3-methyl-3-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)(CCO)NC(C)C
InChIInChI=1S/C9H21NO/c1-5-9(4,6-7-11)10-8(2)3/h8,10-11H,5-7H2,1-4H3
InChIKeyLAOFHVQNWLOECT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds5

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

3-methyl-3-(propan-2-ylamino)pentan-1-ol (PubChem CID 115921099) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methyl-3-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(propan-2-ylamino)pentan-1-ol
PubChem CID115921099
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methyl-3-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)(CCO)NC(C)C
InChIInChI=1S/C9H21NO/c1-5-9(4,6-7-11)10-8(2)3/h8,10-11H,5-7H2,1-4H3
InChIKeyLAOFHVQNWLOECT-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 106175369
2-methyl-2-N-propan-2-ylbutane-1,2-diamine
CID 62066789
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide
CID 106177170
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol
CID 115921095
3,3,5-trimethyl-5-(propan-2-ylamino)heptan-2-one
CID 166964420
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(propan-2-ylamino)pentan-1-ol (CID 115921099) is 3-methyl-3-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(propan-2-ylamino)pentan-1-ol is CCC(C)(CCO)NC(C)C.
What is the InChIKey of 3-methyl-3-(propan-2-ylamino)pentan-1-ol?
The InChIKey is LAOFHVQNWLOECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(4,6-7-11)10-8(2)3/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 3-methyl-3-(propan-2-ylamino)pentan-1-ol?
3-methyl-3-(propan-2-ylamino)pentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 115921099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).