1-[butan-2-yl(methyl)amino]butan-2-one

C9H19NO — CID 62039500

IUPAC1-[butan-2-yl(methyl)amino]butan-2-one
SMILESCCC(=O)CN(C)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(3)10(4)7-9(11)6-2/h8H,5-7H2,1-4H3
InChIKeyPLBJKDWHMJVLJG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds5

About 1-[butan-2-yl(methyl)amino]butan-2-one

1-[butan-2-yl(methyl)amino]butan-2-one (PubChem CID 62039500) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-[butan-2-yl(methyl)amino]butan-2-one.

Molecular Properties

Compound Name1-[butan-2-yl(methyl)amino]butan-2-one
PubChem CID62039500
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-[butan-2-yl(methyl)amino]butan-2-one
SMILESCCC(=O)CN(C)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(3)10(4)7-9(11)6-2/h8H,5-7H2,1-4H3
InChIKeyPLBJKDWHMJVLJG-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(2-oxobutyl)amino]butanenitrile
CID 63223260
1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one
CID 79395639
1-[amino(methyl)amino]butan-2-one
CID 146213557
N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
CID 130854891
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-[bis(2-oxobutyl)amino]-3-methylbutan-2-one
CID 135280790
1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
CID 107507543
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
1-[1,1-difluoropropyl(methyl)amino]butan-2-one
CID 154671416
1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
CID 81057198

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(methyl)amino]butan-2-one?
The IUPAC name of 1-[butan-2-yl(methyl)amino]butan-2-one (CID 62039500) is 1-[butan-2-yl(methyl)amino]butan-2-one.
What is the SMILES notation for 1-[butan-2-yl(methyl)amino]butan-2-one?
The canonical SMILES for 1-[butan-2-yl(methyl)amino]butan-2-one is CCC(=O)CN(C)C(C)CC.
What is the InChIKey of 1-[butan-2-yl(methyl)amino]butan-2-one?
The InChIKey is PLBJKDWHMJVLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(3)10(4)7-9(11)6-2/h8H,5-7H2,1-4H3.
What are the key properties of 1-[butan-2-yl(methyl)amino]butan-2-one?
1-[butan-2-yl(methyl)amino]butan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(methyl)amino]butan-2-one is sourced from PubChem (CID 62039500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).