N,N'-dipropyl-2-(propylamino)butanediamide

C13H27N3O2 — CID 90878488

IUPACN,N'-dipropyl-2-(propylamino)butanediamide
SMILESCCCNC(=O)CC(NCCC)C(=O)NCCC
InChIInChI=1S/C13H27N3O2/c1-4-7-14-11(13(18)16-9-6-3)10-12(17)15-8-5-2/h11,14H,4-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyTWHABCAUYKBEJG-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.80
Rot. Bonds10

About N,N'-dipropyl-2-(propylamino)butanediamide

N,N'-dipropyl-2-(propylamino)butanediamide (PubChem CID 90878488) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N,N'-dipropyl-2-(propylamino)butanediamide.

Molecular Properties

Compound NameN,N'-dipropyl-2-(propylamino)butanediamide
PubChem CID90878488
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN,N'-dipropyl-2-(propylamino)butanediamide
SMILESCCCNC(=O)CC(NCCC)C(=O)NCCC
InChIInChI=1S/C13H27N3O2/c1-4-7-14-11(13(18)16-9-6-3)10-12(17)15-8-5-2/h11,14H,4-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyTWHABCAUYKBEJG-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-(pentylamino)-3-(propylamino)butanoic acid;4-oxo-N-pentyl-3-(propylamino)pentanamide
CID 157140261
2-(ethylamino)-N-propylbutanediamide
CID 59755621
N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide
CID 19920859
3,4-dimethyl-N-propylpentanamide
CID 89425193
3-methyl-N-propylhexanamide
CID 143315126
3,4-diamino-N-propylbutanamide
CID 66426337
2-iodo-N-propylpropanamide
CID 64787589
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070
3-cyano-N-propylbutanamide
CID 82111211
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
3,5-bis(propylamino)heptane-2,6-dione
CID 21339708
3,3-diphenyl-N-propylpropanamide
CID 4638647

Frequently Asked Questions

What is the IUPAC name of N,N'-dipropyl-2-(propylamino)butanediamide?
The IUPAC name of N,N'-dipropyl-2-(propylamino)butanediamide (CID 90878488) is N,N'-dipropyl-2-(propylamino)butanediamide.
What is the SMILES notation for N,N'-dipropyl-2-(propylamino)butanediamide?
The canonical SMILES for N,N'-dipropyl-2-(propylamino)butanediamide is CCCNC(=O)CC(NCCC)C(=O)NCCC.
What is the InChIKey of N,N'-dipropyl-2-(propylamino)butanediamide?
The InChIKey is TWHABCAUYKBEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-7-14-11(13(18)16-9-6-3)10-12(17)15-8-5-2/h11,14H,4-10H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N,N'-dipropyl-2-(propylamino)butanediamide?
N,N'-dipropyl-2-(propylamino)butanediamide has a molecular weight of 257.38 g/mol, XLogP of 0.80, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropyl-2-(propylamino)butanediamide is sourced from PubChem (CID 90878488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).