(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide

C9H19N3O — CID 89328658

IUPAC(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide
SMILESCNC(=O)[C@@H](C)CCC/N=C(\C)N
InChIInChI=1S/C9H19N3O/c1-7(9(13)11-3)5-4-6-12-8(2)10/h7H,4-6H2,1-3H3,(H2,10,12)(H,11,13)/t7-/m0/s1
InChIKeyLZSYVXSZFDNGRZ-ZETCQYMHSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds5

About (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide

(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide (PubChem CID 89328658) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide
PubChem CID89328658
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide
SMILESCNC(=O)[C@@H](C)CCC/N=C(\C)N
InChIInChI=1S/C9H19N3O/c1-7(9(13)11-3)5-4-6-12-8(2)10/h7H,4-6H2,1-3H3,(H2,10,12)(H,11,13)/t7-/m0/s1
InChIKeyLZSYVXSZFDNGRZ-ZETCQYMHSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(diaminomethylideneamino)-N,2-dimethylpentanamide
CID 20582867
(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide
CID 58735039
5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide
CID 58735047
5-(1-Aminoethylideneamino)-2-methylpentanamide
CID 58871596
(2S)-5-(1-aminoethylideneamino)-2-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 60090205
N'-[3-[(3R)-2,6-dioxo-1,5-diazacycloundec-3-yl]propyl]propanimidamide
CID 68011955
(2S)-N-[4-(diaminomethylideneamino)butyl]-2,4-dimethylpentanamide
CID 89737561
N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide
CID 122547941
5-Amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide
CID 123158487
N-methyl-2-(N'-methylcarbamimidoyl)-3-methyliminopentanediamide
CID 123436862
N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
CID 123586564
5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide
CID 123671122

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide?
The IUPAC name of (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide (CID 89328658) is (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide.
What is the SMILES notation for (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide?
The canonical SMILES for (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide is CNC(=O)[C@@H](C)CCC/N=C(\C)N.
What is the InChIKey of (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide?
The InChIKey is LZSYVXSZFDNGRZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(13)11-3)5-4-6-12-8(2)10/h7H,4-6H2,1-3H3,(H2,10,12)(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide?
(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide has a molecular weight of 185.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide is sourced from PubChem (CID 89328658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).