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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Related Compounds

(3S)-3-(prop-1-en-2-ylamino)azepan-2-one
CID 163115031
N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide
CID 54398803
2-amino-N-(2-methylprop-2-enyl)pentanediamide
CID 87764979
2,5-diamino-N-(2-methylprop-2-enyl)pentanamide
CID 88011637
N-(2-aminoprop-2-enyl)pentanamide
CID 90253964
N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
CID 90398268
N-[3-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]prop-1-en-2-yl]-N-methylbutanamide
CID 117744137
(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide
CID 118011617
N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide
CID 130411879
(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide
CID 142839410
molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide
CID 143785401
2-amino-5-(3-bromoprop-1-en-2-ylamino)-N-ethylpentanamide;ethane
CID 144456748

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).