3-[methyl(propan-2-yl)amino]-N-propylpropanamide

C10H22N2O — CID 170366588

IUPAC3-[methyl(propan-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(C)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-7-11-10(13)6-8-12(4)9(2)3/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyZRCQWTXTDZVOLE-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.24
Rot. Bonds6

About 3-[methyl(propan-2-yl)amino]-N-propylpropanamide

3-[methyl(propan-2-yl)amino]-N-propylpropanamide (PubChem CID 170366588) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-N-propylpropanamide
PubChem CID170366588
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-[methyl(propan-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(C)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-7-11-10(13)6-8-12(4)9(2)3/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyZRCQWTXTDZVOLE-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 169177259
N-ethyl-3-[methyl(propan-2-yl)amino]propanamide
CID 163565959
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
3-[propan-2-yl-[2-(propan-2-ylamino)ethyl]amino]-N-propylpropanamide
CID 58040516
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
CID 119584251

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-N-propylpropanamide (CID 170366588) is 3-[methyl(propan-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCN(C)C(C)C.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-N-propylpropanamide?
The InChIKey is ZRCQWTXTDZVOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-7-11-10(13)6-8-12(4)9(2)3/h9H,5-8H2,1-4H3,(H,11,13).
What are the key properties of 3-[methyl(propan-2-yl)amino]-N-propylpropanamide?
3-[methyl(propan-2-yl)amino]-N-propylpropanamide has a molecular weight of 186.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 170366588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).