2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol

C8H17NO — CID 115772235

IUPAC2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
SMILESC=C(C)CN(C)C(C)CO
InChIInChI=1S/C8H17NO/c1-7(2)5-9(4)8(3)6-10/h8,10H,1,5-6H2,2-4H3
InChIKeyYAOFONPXVDAXSZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds4

About 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol

2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol (PubChem CID 115772235) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
PubChem CID115772235
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
SMILESC=C(C)CN(C)C(C)CO
InChIInChI=1S/C8H17NO/c1-7(2)5-9(4)8(3)6-10/h8,10H,1,5-6H2,2-4H3
InChIKeyYAOFONPXVDAXSZ-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol
CID 103071256
3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol
CID 162730779
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
CID 107507543
N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
CID 130854891

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol (CID 115772235) is 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol is C=C(C)CN(C)C(C)CO.
What is the InChIKey of 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol?
The InChIKey is YAOFONPXVDAXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)5-9(4)8(3)6-10/h8,10H,1,5-6H2,2-4H3.
What are the key properties of 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol?
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 115772235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).