5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide

C11H24N4O — CID 159082319

IUPAC5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide
SMILESCCCNC(=O)C(CCC/N=C(\C)N)NC
InChIInChI=1S/C11H24N4O/c1-4-7-15-11(16)10(13-3)6-5-8-14-9(2)12/h10,13H,4-8H2,1-3H3,(H2,12,14)(H,15,16)
InChIKeyAQZATUARRCVBRW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.26
Rot. Bonds8

About 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide

5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide (PubChem CID 159082319) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide.

Molecular Properties

Compound Name5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide
PubChem CID159082319
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide
SMILESCCCNC(=O)C(CCC/N=C(\C)N)NC
InChIInChI=1S/C11H24N4O/c1-4-7-15-11(16)10(13-3)6-5-8-14-9(2)12/h10,13H,4-8H2,1-3H3,(H2,12,14)(H,15,16)
InChIKeyAQZATUARRCVBRW-UHFFFAOYSA-N
XLogP0.26
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
CID 155415637
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
3-[2-((113C)methylamino)(5,6-13C2)hexanoylamino]propanoic acid
CID 135251442
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
(2S)-5-(diaminomethylideneamino)-N-dodecyl-2-(dodecylcarbamoylamino)pentanamide;hydrochloride
CID 135364136
5-(diaminomethylideneamino)-N-dodecyl-2-(hexadecylcarbamoylamino)pentanamide;hydrochloride
CID 135364199
2-(1-aminoethylideneamino)ethylurea
CID 83118199
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
CID 59831421

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide?
The IUPAC name of 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide (CID 159082319) is 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide.
What is the SMILES notation for 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide?
The canonical SMILES for 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide is CCCNC(=O)C(CCC/N=C(\C)N)NC.
What is the InChIKey of 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide?
The InChIKey is AQZATUARRCVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-7-15-11(16)10(13-3)6-5-8-14-9(2)12/h10,13H,4-8H2,1-3H3,(H2,12,14)(H,15,16).
What are the key properties of 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide?
5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide is sourced from PubChem (CID 159082319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).