N'-propyl-2-(propylamino)butanediamide

C10H21N3O2 — CID 47002682

IUPACN'-propyl-2-(propylamino)butanediamide
SMILESCCCNC(=O)CC(NCCC)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-3-5-12-8(10(11)15)7-9(14)13-6-4-2/h8,12H,3-7H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeySBPJIKLDAXIVNO-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.24
Rot. Bonds8

About N'-propyl-2-(propylamino)butanediamide

N'-propyl-2-(propylamino)butanediamide (PubChem CID 47002682) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-propyl-2-(propylamino)butanediamide.

Molecular Properties

Compound NameN'-propyl-2-(propylamino)butanediamide
PubChem CID47002682
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-propyl-2-(propylamino)butanediamide
SMILESCCCNC(=O)CC(NCCC)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-3-5-12-8(10(11)15)7-9(14)13-6-4-2/h8,12H,3-7H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeySBPJIKLDAXIVNO-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-propyl-2-(propylamino)butanediamide?
The IUPAC name of N'-propyl-2-(propylamino)butanediamide (CID 47002682) is N'-propyl-2-(propylamino)butanediamide.
What is the SMILES notation for N'-propyl-2-(propylamino)butanediamide?
The canonical SMILES for N'-propyl-2-(propylamino)butanediamide is CCCNC(=O)CC(NCCC)C(N)=O.
What is the InChIKey of N'-propyl-2-(propylamino)butanediamide?
The InChIKey is SBPJIKLDAXIVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-5-12-8(10(11)15)7-9(14)13-6-4-2/h8,12H,3-7H2,1-2H3,(H2,11,15)(H,13,14).
What are the key properties of N'-propyl-2-(propylamino)butanediamide?
N'-propyl-2-(propylamino)butanediamide has a molecular weight of 215.30 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-2-(propylamino)butanediamide is sourced from PubChem (CID 47002682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).