1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one

C11H21NO — CID 170224298

IUPAC1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one
SMILESCC(=O)CN(CC1CC1)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-9(13)7-12(11(2,3)4)8-10-5-6-10/h10H,5-8H2,1-4H3
InChIKeyOWSARULGYRKZED-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds4

About 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one

1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one (PubChem CID 170224298) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one
PubChem CID170224298
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one
SMILESCC(=O)CN(CC1CC1)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-9(13)7-12(11(2,3)4)8-10-5-6-10/h10H,5-8H2,1-4H3
InChIKeyOWSARULGYRKZED-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
CID 79268970
N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
CID 86042576
methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate
CID 69299084
N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
CID 146435466
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
3,3-dimethyl-1-[4-(2-oxopropyl)cyclohexyl]butan-2-one
CID 21340947
1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62862391
N-(cyclopropylmethyl)-N-(2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 153298301
N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide
CID 174938852

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one?
The IUPAC name of 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one (CID 170224298) is 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one.
What is the SMILES notation for 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one?
The canonical SMILES for 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one is CC(=O)CN(CC1CC1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one?
The InChIKey is OWSARULGYRKZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)7-12(11(2,3)4)8-10-5-6-10/h10H,5-8H2,1-4H3.
What are the key properties of 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one?
1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one is sourced from PubChem (CID 170224298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).