N'-[2-(methylamino)propyl]-N-propylpentanediamide

C12H25N3O2 — CID 120829372

IUPACN'-[2-(methylamino)propyl]-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)NCC(C)NC
InChIInChI=1S/C12H25N3O2/c1-4-8-14-11(16)6-5-7-12(17)15-9-10(2)13-3/h10,13H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVJYTYOZEEKUBGA-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds9

About N'-[2-(methylamino)propyl]-N-propylpentanediamide

N'-[2-(methylamino)propyl]-N-propylpentanediamide (PubChem CID 120829372) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-[2-(methylamino)propyl]-N-propylpentanediamide.

Molecular Properties

Compound NameN'-[2-(methylamino)propyl]-N-propylpentanediamide
PubChem CID120829372
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-[2-(methylamino)propyl]-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)NCC(C)NC
InChIInChI=1S/C12H25N3O2/c1-4-8-14-11(16)6-5-7-12(17)15-9-10(2)13-3/h10,13H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVJYTYOZEEKUBGA-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dipropyldecanediamide
CID 102239298
3-methoxy-N-[2-(methylamino)propyl]propanamide
CID 103512714
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
ethane;N-propylheptanamide
CID 145289188
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
sodium;hydride;N-propyldodecanamide
CID 172999662
12-oxo-N-propyltridecanamide
CID 135223938
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
4-(ethylamino)-N-propylbutanamide
CID 168958611
(4R)-4-amino-N-propylpentanamide
CID 146234117
methanethiol;molecular hydrogen;5-oxo-N-propylhexanamide
CID 178099887

Frequently Asked Questions

What is the IUPAC name of N'-[2-(methylamino)propyl]-N-propylpentanediamide?
The IUPAC name of N'-[2-(methylamino)propyl]-N-propylpentanediamide (CID 120829372) is N'-[2-(methylamino)propyl]-N-propylpentanediamide.
What is the SMILES notation for N'-[2-(methylamino)propyl]-N-propylpentanediamide?
The canonical SMILES for N'-[2-(methylamino)propyl]-N-propylpentanediamide is CCCNC(=O)CCCC(=O)NCC(C)NC.
What is the InChIKey of N'-[2-(methylamino)propyl]-N-propylpentanediamide?
The InChIKey is VJYTYOZEEKUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-8-14-11(16)6-5-7-12(17)15-9-10(2)13-3/h10,13H,4-9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(methylamino)propyl]-N-propylpentanediamide?
N'-[2-(methylamino)propyl]-N-propylpentanediamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(methylamino)propyl]-N-propylpentanediamide is sourced from PubChem (CID 120829372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).