3-(2-methylpropylamino)-N-propylpropanamide

C10H22N2O — CID 61059626

IUPAC3-(2-methylpropylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCC(C)C
InChIInChI=1S/C10H22N2O/c1-4-6-12-10(13)5-7-11-8-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyUXOPTEIZTJEONV-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds7

About 3-(2-methylpropylamino)-N-propylpropanamide

3-(2-methylpropylamino)-N-propylpropanamide (PubChem CID 61059626) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-methylpropylamino)-N-propylpropanamide
PubChem CID61059626
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(2-methylpropylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCC(C)C
InChIInChI=1S/C10H22N2O/c1-4-6-12-10(13)5-7-11-8-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyUXOPTEIZTJEONV-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
CID 167491425
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
2-methyl-N-propylpropan-1-amine
CID 520943
(4R)-4-amino-N-propylpentanamide
CID 146234117
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
CID 102869439
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
3-(but-3-ynylamino)-N-propylpropanamide
CID 63656268

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-N-propylpropanamide?
The IUPAC name of 3-(2-methylpropylamino)-N-propylpropanamide (CID 61059626) is 3-(2-methylpropylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(2-methylpropylamino)-N-propylpropanamide?
The canonical SMILES for 3-(2-methylpropylamino)-N-propylpropanamide is CCCNC(=O)CCNCC(C)C.
What is the InChIKey of 3-(2-methylpropylamino)-N-propylpropanamide?
The InChIKey is UXOPTEIZTJEONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-12-10(13)5-7-11-8-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-(2-methylpropylamino)-N-propylpropanamide?
3-(2-methylpropylamino)-N-propylpropanamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-N-propylpropanamide is sourced from PubChem (CID 61059626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).