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

C9H21NO — CID 65031909

IUPAC2-methyl-3-(pentan-2-ylamino)propan-1-ol
SMILESCCCC(C)NCC(C)CO
InChIInChI=1S/C9H21NO/c1-4-5-9(3)10-6-8(2)7-11/h8-11H,4-7H2,1-3H3
InChIKeyFYERNPVNVNGQLS-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds6

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

2-methyl-3-(pentan-2-ylamino)propan-1-ol (PubChem CID 65031909) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-3-(pentan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(pentan-2-ylamino)propan-1-ol
PubChem CID65031909
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-3-(pentan-2-ylamino)propan-1-ol
SMILESCCCC(C)NCC(C)CO
InChIInChI=1S/C9H21NO/c1-4-5-9(3)10-6-8(2)7-11/h8-11H,4-7H2,1-3H3
InChIKeyFYERNPVNVNGQLS-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol
CID 65032247
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
4-methyl-2-(2-methylpentylamino)pentan-1-ol
CID 61245377
3-(1-hydroxyethylamino)-2-methylpropan-1-ol
CID 57165615
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pentan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(pentan-2-ylamino)propan-1-ol (CID 65031909) is 2-methyl-3-(pentan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(pentan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(pentan-2-ylamino)propan-1-ol is CCCC(C)NCC(C)CO.
What is the InChIKey of 2-methyl-3-(pentan-2-ylamino)propan-1-ol?
The InChIKey is FYERNPVNVNGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-9(3)10-6-8(2)7-11/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-(pentan-2-ylamino)propan-1-ol?
2-methyl-3-(pentan-2-ylamino)propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pentan-2-ylamino)propan-1-ol is sourced from PubChem (CID 65031909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).