N,N'-diamino-N-methylheptanimidamide

C8H20N4 — CID 155689809

IUPACN,N'-diamino-N-methylheptanimidamide
SMILESCCCCCC/C(=N/N)N(C)N
InChIInChI=1S/C8H20N4/c1-3-4-5-6-7-8(11-9)12(2)10/h3-7,9-10H2,1-2H3/b11-8-
InChIKeyDUEPNPAMAJHVQX-FLIBITNWSA-N
MW172.28 g/mol
LogP1.03
Rot. Bonds5

About N,N'-diamino-N-methylheptanimidamide

N,N'-diamino-N-methylheptanimidamide (PubChem CID 155689809) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is N,N'-diamino-N-methylheptanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-methylheptanimidamide
PubChem CID155689809
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC NameN,N'-diamino-N-methylheptanimidamide
SMILESCCCCCC/C(=N/N)N(C)N
InChIInChI=1S/C8H20N4/c1-3-4-5-6-7-8(11-9)12(2)10/h3-7,9-10H2,1-2H3/b11-8-
InChIKeyDUEPNPAMAJHVQX-FLIBITNWSA-N
XLogP1.03
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-aminononanimidamide
CID 4100069
7-hydrazinylidenedodecan-6-ylidenehydrazine
CID 71443404
N,N-dimethyl-N'-sulfamoylhexanimidamide
CID 126717465
decan-5-ylidenehydrazine
CID 86114328
N-amino-N-hydroxydocosanamide
CID 87686885
nonan-4-ylidenehydrazine
CID 140571520
octadecanamide;zinc
CID 87169213
N'-[amino(methyl)amino]pentanimidamide
CID 144800598
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650
N,N-dimethylmethanamine;tridecane
CID 174432259
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N-[(Z)-decan-2-ylideneamino]-N-methylmethanamine
CID 6506660

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N-methylheptanimidamide?
The IUPAC name of N,N'-diamino-N-methylheptanimidamide (CID 155689809) is N,N'-diamino-N-methylheptanimidamide.
What is the SMILES notation for N,N'-diamino-N-methylheptanimidamide?
The canonical SMILES for N,N'-diamino-N-methylheptanimidamide is CCCCCC/C(=N/N)N(C)N.
What is the InChIKey of N,N'-diamino-N-methylheptanimidamide?
The InChIKey is DUEPNPAMAJHVQX-FLIBITNWSA-N. The full InChI is InChI=1S/C8H20N4/c1-3-4-5-6-7-8(11-9)12(2)10/h3-7,9-10H2,1-2H3/b11-8-.
What are the key properties of N,N'-diamino-N-methylheptanimidamide?
N,N'-diamino-N-methylheptanimidamide has a molecular weight of 172.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-methylheptanimidamide is sourced from PubChem (CID 155689809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).