2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol

C10H23NO — CID 65032247

IUPAC2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol
SMILESCC(C)CC(C)NCC(C)CO
InChIInChI=1S/C10H23NO/c1-8(2)5-10(4)11-6-9(3)7-12/h8-12H,5-7H2,1-4H3
InChIKeyNZCVDMUNCYXSPG-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds6

About 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol

2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol (PubChem CID 65032247) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol
PubChem CID65032247
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol
SMILESCC(C)CC(C)NCC(C)CO
InChIInChI=1S/C10H23NO/c1-8(2)5-10(4)11-6-9(3)7-12/h8-12H,5-7H2,1-4H3
InChIKeyNZCVDMUNCYXSPG-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanol, 3-((1,1-dipropylbutyl)amino)-, hydrochloride
CID 3049082
(2S)-4-methyl-2-(methylamino)pentan-1-ol
CID 12695791
4-Methyl-2-(methylamino)pentan-1-ol
CID 12695790
(2R)-4-methyl-2-(methylamino)pentan-1-ol
CID 59967423
2-[(Cyclobutylmethyl)amino]propan-1-ol
CID 65460320
t-Butylleucinol
CID 59118614
2-Ethylhexylhydroxypropylamine
CID 60683005
N-(3-Hydroxy-n-propyl)-1,1-di-n-propyl-n-butylamine
CID 3049083
2-[(4-Methylpentan-2-yl)amino]ethanol
CID 276939
1-[(4-Methylpentan-2-yl)amino]propan-2-ol
CID 277591
2-[(2,6-Dimethylheptan-4-yl)amino]ethan-1-ol
CID 277620
2-Methyl-4-Methylaminohexanol
CID 76589891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol (CID 65032247) is 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol is CC(C)CC(C)NCC(C)CO.
What is the InChIKey of 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol?
The InChIKey is NZCVDMUNCYXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)5-10(4)11-6-9(3)7-12/h8-12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol?
2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol is sourced from PubChem (CID 65032247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).