5-(diaminomethylideneamino)-N-ethylpentanamide

C8H18N4O — CID 123296097

IUPAC5-(diaminomethylideneamino)-N-ethylpentanamide
SMILESCCNC(=O)CCCCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-2-11-7(13)5-3-4-6-12-8(9)10/h2-6H2,1H3,(H,11,13)(H4,9,10,12)
InChIKeyPFQMHRIRSLZXMQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.43
Rot. Bonds6

About 5-(diaminomethylideneamino)-N-ethylpentanamide

5-(diaminomethylideneamino)-N-ethylpentanamide (PubChem CID 123296097) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-N-ethylpentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-N-ethylpentanamide
PubChem CID123296097
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name5-(diaminomethylideneamino)-N-ethylpentanamide
SMILESCCNC(=O)CCCCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-2-11-7(13)5-3-4-6-12-8(9)10/h2-6H2,1H3,(H,11,13)(H4,9,10,12)
InChIKeyPFQMHRIRSLZXMQ-UHFFFAOYSA-N
XLogP-0.43
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
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

N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
N'-ethyldodecanediamide
CID 175230920
N'-ethylnonanediamide
CID 18377762
N,N'-diethylnonanediamide
CID 89048639
5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
CID 139836172
N-[(2S)-6-(diaminomethylideneamino)-1-(ethylamino)-1-oxohexan-2-yl]dodecanamide
CID 127263390
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
CID 11266997
2-(5-oxoheptyl)guanidine
CID 89070451
N-ethyloctadecanamide;octadecanamide
CID 159879248
N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide
CID 144951076

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-N-ethylpentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-N-ethylpentanamide (CID 123296097) is 5-(diaminomethylideneamino)-N-ethylpentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-N-ethylpentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-N-ethylpentanamide is CCNC(=O)CCCCN=C(N)N.
What is the InChIKey of 5-(diaminomethylideneamino)-N-ethylpentanamide?
The InChIKey is PFQMHRIRSLZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-2-11-7(13)5-3-4-6-12-8(9)10/h2-6H2,1H3,(H,11,13)(H4,9,10,12).
What are the key properties of 5-(diaminomethylideneamino)-N-ethylpentanamide?
5-(diaminomethylideneamino)-N-ethylpentanamide has a molecular weight of 186.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-N-ethylpentanamide is sourced from PubChem (CID 123296097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).