1-[methyl(propyl)amino]pentan-2-ol

C9H21NO — CID 62042570

IUPAC1-[methyl(propyl)amino]pentan-2-ol
SMILESCCCC(O)CN(C)CCC
InChIInChI=1S/C9H21NO/c1-4-6-9(11)8-10(3)7-5-2/h9,11H,4-8H2,1-3H3
InChIKeyBHKZJMWYSLNYAZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds6

About 1-[methyl(propyl)amino]pentan-2-ol

1-[methyl(propyl)amino]pentan-2-ol (PubChem CID 62042570) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-[methyl(propyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[methyl(propyl)amino]pentan-2-ol
PubChem CID62042570
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-[methyl(propyl)amino]pentan-2-ol
SMILESCCCC(O)CN(C)CCC
InChIInChI=1S/C9H21NO/c1-4-6-9(11)8-10(3)7-5-2/h9,11H,4-8H2,1-3H3
InChIKeyBHKZJMWYSLNYAZ-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propyl)amino]pentan-2-ol?
The IUPAC name of 1-[methyl(propyl)amino]pentan-2-ol (CID 62042570) is 1-[methyl(propyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[methyl(propyl)amino]pentan-2-ol?
The canonical SMILES for 1-[methyl(propyl)amino]pentan-2-ol is CCCC(O)CN(C)CCC.
What is the InChIKey of 1-[methyl(propyl)amino]pentan-2-ol?
The InChIKey is BHKZJMWYSLNYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-9(11)8-10(3)7-5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[methyl(propyl)amino]pentan-2-ol?
1-[methyl(propyl)amino]pentan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propyl)amino]pentan-2-ol is sourced from PubChem (CID 62042570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).