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

C9H21NO — CID 60885275

IUPAC2-methyl-1-(pentan-2-ylamino)propan-2-ol
SMILESCCCC(C)NCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-5-6-8(2)10-7-9(3,4)11/h8,10-11H,5-7H2,1-4H3
InChIKeyOHEHHKHTETXOQF-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds5

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

2-methyl-1-(pentan-2-ylamino)propan-2-ol (PubChem CID 60885275) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-1-(pentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(pentan-2-ylamino)propan-2-ol
PubChem CID60885275
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-1-(pentan-2-ylamino)propan-2-ol
SMILESCCCC(C)NCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-5-6-8(2)10-7-9(3,4)11/h8,10-11H,5-7H2,1-4H3
InChIKeyOHEHHKHTETXOQF-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

2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
2-methyl-4-(pentan-2-ylamino)butan-2-ol
CID 79361894
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997
1-[[(3R)-heptan-3-yl]amino]-2-methylpropan-2-ol
CID 96936020
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
CID 115719490
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
CID 107889072
1-(heptan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 115722418
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
(Z)-4,4-dimethyl-N-pentan-2-ylpent-2-en-1-amine
CID 139472341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pentan-2-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(pentan-2-ylamino)propan-2-ol (CID 60885275) is 2-methyl-1-(pentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(pentan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(pentan-2-ylamino)propan-2-ol is CCCC(C)NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(pentan-2-ylamino)propan-2-ol?
The InChIKey is OHEHHKHTETXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-8(2)10-7-9(3,4)11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(pentan-2-ylamino)propan-2-ol?
2-methyl-1-(pentan-2-ylamino)propan-2-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 2-methyl-1-(pentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60885275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).