2-(ethylamino)-N-propylbutanediamide

C9H19N3O2 — CID 59755621

IUPAC2-(ethylamino)-N-propylbutanediamide
SMILESCCCNC(=O)C(CC(N)=O)NCC
InChIInChI=1S/C9H19N3O2/c1-3-5-12-9(14)7(11-4-2)6-8(10)13/h7,11H,3-6H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyQFARQGAGYKFISU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.63
Rot. Bonds7

About 2-(ethylamino)-N-propylbutanediamide

2-(ethylamino)-N-propylbutanediamide (PubChem CID 59755621) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(ethylamino)-N-propylbutanediamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propylbutanediamide
PubChem CID59755621
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(ethylamino)-N-propylbutanediamide
SMILESCCCNC(=O)C(CC(N)=O)NCC
InChIInChI=1S/C9H19N3O2/c1-3-5-12-9(14)7(11-4-2)6-8(10)13/h7,11H,3-6H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyQFARQGAGYKFISU-UHFFFAOYSA-N
XLogP-0.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-propylbutanediamide?
The IUPAC name of 2-(ethylamino)-N-propylbutanediamide (CID 59755621) is 2-(ethylamino)-N-propylbutanediamide.
What is the SMILES notation for 2-(ethylamino)-N-propylbutanediamide?
The canonical SMILES for 2-(ethylamino)-N-propylbutanediamide is CCCNC(=O)C(CC(N)=O)NCC.
What is the InChIKey of 2-(ethylamino)-N-propylbutanediamide?
The InChIKey is QFARQGAGYKFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-5-12-9(14)7(11-4-2)6-8(10)13/h7,11H,3-6H2,1-2H3,(H2,10,13)(H,12,14).
What are the key properties of 2-(ethylamino)-N-propylbutanediamide?
2-(ethylamino)-N-propylbutanediamide has a molecular weight of 201.27 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propylbutanediamide is sourced from PubChem (CID 59755621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).