2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol

C9H21NO — CID 62270572

IUPAC2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol
SMILESCCCN(C)CC(C)(C)CO
InChIInChI=1S/C9H21NO/c1-5-6-10(4)7-9(2,3)8-11/h11H,5-8H2,1-4H3
InChIKeyWJLUJQYAHBNFAV-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds5

About 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol

2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol (PubChem CID 62270572) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol
PubChem CID62270572
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol
SMILESCCCN(C)CC(C)(C)CO
InChIInChI=1S/C9H21NO/c1-5-6-10(4)7-9(2,3)8-11/h11H,5-8H2,1-4H3
InChIKeyWJLUJQYAHBNFAV-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol (CID 62270572) is 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol is CCCN(C)CC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol?
The InChIKey is WJLUJQYAHBNFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-10(4)7-9(2,3)8-11/h11H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol?
2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(propyl)amino]propan-1-ol is sourced from PubChem (CID 62270572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).