N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide

C9H20N4O — CID 122547942

IUPACN-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide
SMILESCC(=O)NC[C@H](N)CCC/N=C(\C)N
InChIInChI=1S/C9H20N4O/c1-7(10)12-5-3-4-9(11)6-13-8(2)14/h9H,3-6,11H2,1-2H3,(H2,10,12)(H,13,14)/t9-/m1/s1
InChIKeyBGXOAENAQPKGFV-SECBINFHSA-N
MW200.29 g/mol
LogP-0.39
Rot. Bonds6

About N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide

N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide (PubChem CID 122547942) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide
PubChem CID122547942
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide
SMILESCC(=O)NC[C@H](N)CCC/N=C(\C)N
InChIInChI=1S/C9H20N4O/c1-7(10)12-5-3-4-9(11)6-13-8(2)14/h9H,3-6,11H2,1-2H3,(H2,10,12)(H,13,14)/t9-/m1/s1
InChIKeyBGXOAENAQPKGFV-SECBINFHSA-N
XLogP-0.39
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.39
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-amino-N-(3-amino-3-imino-1-methyl-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 313181
N-[(2R)-2-(diaminomethylideneamino)pentyl]-2,2,2-trifluoroacetamide
CID 87651255
N-[(2S)-2-(diaminomethylideneamino)pentyl]-2,2,2-trifluoroacetamide
CID 87652701
N-[(3R)-3-[(1-amino-2-iodoiminoethylidene)amino]-1-fluoroheptan-2-yl]acetamide
CID 173679183
2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide
CID 18343481
2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
CID 19753743
2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 21291317
(2S)-2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
CID 21971663
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
N-cyclohexyl-2-(diaminomethylideneamino)acetamide
CID 23565544
N-(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)acetamide
CID 57120687
(2S)-2-amino-N-[4-(diaminomethylideneamino)butyl]propanamide
CID 57586152

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide?
The IUPAC name of N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide (CID 122547942) is N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide.
What is the SMILES notation for N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide?
The canonical SMILES for N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide is CC(=O)NC[C@H](N)CCC/N=C(\C)N.
What is the InChIKey of N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide?
The InChIKey is BGXOAENAQPKGFV-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(10)12-5-3-4-9(11)6-13-8(2)14/h9H,3-6,11H2,1-2H3,(H2,10,12)(H,13,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide?
N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide has a molecular weight of 200.29 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide is sourced from PubChem (CID 122547942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).