1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol

C12H27NO — CID 147298806

IUPAC1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)CC(C)N(CC(C)O)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)7-11(5)13(10(3)4)8-12(6)14/h9-12,14H,7-8H2,1-6H3
InChIKeyCVQLULZOZMRKHS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol

1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol (PubChem CID 147298806) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol
PubChem CID147298806
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)CC(C)N(CC(C)O)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)7-11(5)13(10(3)4)8-12(6)14/h9-12,14H,7-8H2,1-6H3
InChIKeyCVQLULZOZMRKHS-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-propan-2-ylbutan-2-amine
CID 139772547
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
methane;(2R)-4-methylpentan-2-ol
CID 159585988
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 142726769
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 158257975
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717

Frequently Asked Questions

What is the IUPAC name of 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol (CID 147298806) is 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol is CC(C)CC(C)N(CC(C)O)C(C)C.
What is the InChIKey of 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol?
The InChIKey is CVQLULZOZMRKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)7-11(5)13(10(3)4)8-12(6)14/h9-12,14H,7-8H2,1-6H3.
What are the key properties of 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol?
1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methylpentan-2-yl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 147298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).