2-methyl-1-propyliminobutan-2-ol

C8H17NO — CID 118185054

IUPAC2-methyl-1-propyliminobutan-2-ol
SMILESCCC/N=C/C(C)(O)CC
InChIInChI=1S/C8H17NO/c1-4-6-9-7-8(3,10)5-2/h7,10H,4-6H2,1-3H3/b9-7+
InChIKeyRPUSAYWQICPLNH-VQHVLOKHSA-N
MW143.23 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-1-propyliminobutan-2-ol

2-methyl-1-propyliminobutan-2-ol (PubChem CID 118185054) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methyl-1-propyliminobutan-2-ol.

Molecular Properties

Compound Name2-methyl-1-propyliminobutan-2-ol
PubChem CID118185054
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-methyl-1-propyliminobutan-2-ol
SMILESCCC/N=C/C(C)(O)CC
InChIInChI=1S/C8H17NO/c1-4-6-9-7-8(3,10)5-2/h7,10H,4-6H2,1-3H3/b9-7+
InChIKeyRPUSAYWQICPLNH-VQHVLOKHSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
CID 118185042
2-hydroxy-2-methylbutanethial
CID 91610862
butane;propane-2,2-diol
CID 142587058
3-methyldeca-4,6-dien-3-ol
CID 54203983
3-methylocta-4,6-dien-3-ol
CID 71319596
sodium;hydride;3-methylhexan-3-ol
CID 175384887
(E)-3-methyldec-6-en-3-ol
CID 20571537
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
N'-(chloromethyl)-N-propylethane-1,2-diimine
CID 174011052
N,N'-dimethylethane-1,2-diimine;N,N'-dipropylethane-1,2-diimine;manganese
CID 140844861
4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol
CID 137469559
azane;3-methylpentan-3-ol
CID 87107560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propyliminobutan-2-ol?
The IUPAC name of 2-methyl-1-propyliminobutan-2-ol (CID 118185054) is 2-methyl-1-propyliminobutan-2-ol.
What is the SMILES notation for 2-methyl-1-propyliminobutan-2-ol?
The canonical SMILES for 2-methyl-1-propyliminobutan-2-ol is CCC/N=C/C(C)(O)CC.
What is the InChIKey of 2-methyl-1-propyliminobutan-2-ol?
The InChIKey is RPUSAYWQICPLNH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-9-7-8(3,10)5-2/h7,10H,4-6H2,1-3H3/b9-7+.
What are the key properties of 2-methyl-1-propyliminobutan-2-ol?
2-methyl-1-propyliminobutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propyliminobutan-2-ol is sourced from PubChem (CID 118185054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).