N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide

C13H27N3O2 — CID 177260546

IUPACN'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide
SMILESCC(C)CNC(=O)CC(=O)NCCCNC(C)C
InChIInChI=1S/C13H27N3O2/c1-10(2)9-16-13(18)8-12(17)15-7-5-6-14-11(3)4/h10-11,14H,5-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyMLEBTNXNPKXIKL-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.65
Rot. Bonds9

About N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide

N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide (PubChem CID 177260546) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide
PubChem CID177260546
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide
SMILESCC(C)CNC(=O)CC(=O)NCCCNC(C)C
InChIInChI=1S/C13H27N3O2/c1-10(2)9-16-13(18)8-12(17)15-7-5-6-14-11(3)4/h10-11,14H,5-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyMLEBTNXNPKXIKL-UHFFFAOYSA-N
XLogP0.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide
CID 156819537
2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
CID 146201925
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide?
The IUPAC name of N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide (CID 177260546) is N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide?
The canonical SMILES for N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide is CC(C)CNC(=O)CC(=O)NCCCNC(C)C.
What is the InChIKey of N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide?
The InChIKey is MLEBTNXNPKXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)9-16-13(18)8-12(17)15-7-5-6-14-11(3)4/h10-11,14H,5-9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide?
N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide has a molecular weight of 257.38 g/mol, XLogP of 0.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide is sourced from PubChem (CID 177260546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).