N-[6-(diaminomethylideneamino)hexyl]acetamide

C9H20N4O — CID 23195109

IUPACN-[6-(diaminomethylideneamino)hexyl]acetamide
SMILESCC(=O)NCCCCCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-8(14)12-6-4-2-3-5-7-13-9(10)11/h2-7H2,1H3,(H,12,14)(H4,10,11,13)
InChIKeyDFDMNOMOWFTZGM-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.04
Rot. Bonds7

About N-[6-(diaminomethylideneamino)hexyl]acetamide

N-[6-(diaminomethylideneamino)hexyl]acetamide (PubChem CID 23195109) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-[6-(diaminomethylideneamino)hexyl]acetamide.

Molecular Properties

Compound NameN-[6-(diaminomethylideneamino)hexyl]acetamide
PubChem CID23195109
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-[6-(diaminomethylideneamino)hexyl]acetamide
SMILESCC(=O)NCCCCCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-8(14)12-6-4-2-3-5-7-13-9(10)11/h2-7H2,1H3,(H,12,14)(H4,10,11,13)
InChIKeyDFDMNOMOWFTZGM-UHFFFAOYSA-N
XLogP-0.04
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.04
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

Acetylagmatine
CID 439661
N-Acetyl-1,6-diaminohexane
CID 162081
N-[4-(diaminomethylidenecarbamoylamino)butyl]-N-methylacetamide
CID 14731319
3-[4-(3-aminopropylamino)butylamino]-N-[6-(diaminomethylideneamino)hexyl]propanamide
CID 10498567
Propanoylagmatine
CID 439760
N-ethyl-N'-(6-trifluoroacetamidohexyl)carbodiimide
CID 53754225
N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide
CID 22752152
N-[6-(methylamino)hexyl]acetamide
CID 23592782
6-Acetamidohexylazanium
CID 40428957
N-[4-amino-4-(diaminomethylideneamino)butan-2-yl]acetamide
CID 53801912
N-[5-(hexylamino)pentyl]acetamide
CID 58435564
N-(6-azidohexyl)acetamide
CID 58992337

Frequently Asked Questions

What is the IUPAC name of N-[6-(diaminomethylideneamino)hexyl]acetamide?
The IUPAC name of N-[6-(diaminomethylideneamino)hexyl]acetamide (CID 23195109) is N-[6-(diaminomethylideneamino)hexyl]acetamide.
What is the SMILES notation for N-[6-(diaminomethylideneamino)hexyl]acetamide?
The canonical SMILES for N-[6-(diaminomethylideneamino)hexyl]acetamide is CC(=O)NCCCCCCN=C(N)N.
What is the InChIKey of N-[6-(diaminomethylideneamino)hexyl]acetamide?
The InChIKey is DFDMNOMOWFTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-8(14)12-6-4-2-3-5-7-13-9(10)11/h2-7H2,1H3,(H,12,14)(H4,10,11,13).
What are the key properties of N-[6-(diaminomethylideneamino)hexyl]acetamide?
N-[6-(diaminomethylideneamino)hexyl]acetamide has a molecular weight of 200.29 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diaminomethylideneamino)hexyl]acetamide is sourced from PubChem (CID 23195109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).