3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide

C12H24N2O — CID 115719724

IUPAC3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NC(C)CC1CC1
InChIInChI=1S/C12H24N2O/c1-9(7-11-5-6-11)13-10(2)8-12(15)14(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyBAWMKLYYJZIIEX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds6

About 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide

3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide (PubChem CID 115719724) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide
PubChem CID115719724
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NC(C)CC1CC1
InChIInChI=1S/C12H24N2O/c1-9(7-11-5-6-11)13-10(2)8-12(15)14(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyBAWMKLYYJZIIEX-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
2-(1-cyclobutylpropan-2-ylamino)-N,N-dimethylacetamide
CID 115927364
3-(2-cyclopropylpropylamino)-N,N-dimethylbutanamide
CID 115713914
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
N,N-dimethyl-3-(oxolan-3-ylmethylamino)butanamide
CID 115712358
2-(1-cyclobutylpropan-2-ylamino)-N,N,2-trimethylpropanamide
CID 115920238
1-cyclopropyl-N-(1-ethoxypropan-2-yl)propan-2-amine
CID 115716929
3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide
CID 115728485
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide (CID 115719724) is 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NC(C)CC1CC1.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide?
The InChIKey is BAWMKLYYJZIIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(7-11-5-6-11)13-10(2)8-12(15)14(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide?
3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 115719724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).