N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide

C9H19N3O — CID 118974811

IUPACN-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide
SMILESC=C(N)CNC(=O)CCC(C)NC
InChIInChI=1S/C9H19N3O/c1-7(10)6-12-9(13)5-4-8(2)11-3/h8,11H,1,4-6,10H2,2-3H3,(H,12,13)
InChIKeyIVYRKDTVDRGVQN-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.04
Rot. Bonds6

About N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide

N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide (PubChem CID 118974811) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide.

Molecular Properties

Compound NameN-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide
PubChem CID118974811
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide
SMILESC=C(N)CNC(=O)CCC(C)NC
InChIInChI=1S/C9H19N3O/c1-7(10)6-12-9(13)5-4-8(2)11-3/h8,11H,1,4-6,10H2,2-3H3,(H,12,13)
InChIKeyIVYRKDTVDRGVQN-UHFFFAOYSA-N
XLogP-0.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide?
The IUPAC name of N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide (CID 118974811) is N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide.
What is the SMILES notation for N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide?
The canonical SMILES for N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide is C=C(N)CNC(=O)CCC(C)NC.
What is the InChIKey of N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide?
The InChIKey is IVYRKDTVDRGVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)6-12-9(13)5-4-8(2)11-3/h8,11H,1,4-6,10H2,2-3H3,(H,12,13).
What are the key properties of N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide?
N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide has a molecular weight of 185.27 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoprop-2-enyl)-4-(methylamino)pentanamide is sourced from PubChem (CID 118974811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).