1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one

C12H23NO — CID 79396006

IUPAC1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CC1CC1)C(C)C
InChIInChI=1S/C12H23NO/c1-9(2)12(14)8-13(10(3)4)7-11-5-6-11/h9-11H,5-8H2,1-4H3
InChIKeyCSNYZOOJYBRQTJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds6

About 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one

1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one (PubChem CID 79396006) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
PubChem CID79396006
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CC1CC1)C(C)C
InChIInChI=1S/C12H23NO/c1-9(2)12(14)8-13(10(3)4)7-11-5-6-11/h9-11H,5-8H2,1-4H3
InChIKeyCSNYZOOJYBRQTJ-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide
CID 112731200
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide
CID 65458741
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
CID 107133659
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
CID 167948584
3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate
CID 59980072
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
1-chloro-3-[cyclopropylmethyl(propan-2-yl)amino]propan-2-ol
CID 112561477

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one (CID 79396006) is 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one is CC(C)C(=O)CN(CC1CC1)C(C)C.
What is the InChIKey of 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one?
The InChIKey is CSNYZOOJYBRQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)12(14)8-13(10(3)4)7-11-5-6-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one?
1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 79396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).