N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide

C8H18BrN5 — CID 70034110

IUPACN-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N=C(N)N)N1CCCCCC1
InChIInChI=1S/C8H17N5.BrH/c9-7(10)12-8(11)13-5-3-1-2-4-6-13;/h1-6H2,(H5,9,10,11,12);1H
InChIKeyNZQWZMFRWBVUQP-UHFFFAOYSA-N
MW264.17 g/mol
LogP0.65
Rot. Bonds

About N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide

N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide (PubChem CID 70034110) has the molecular formula C8H18BrN5 and a molecular weight of 264.17 g/mol. Its IUPAC name is N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide.

Molecular Properties

Compound NameN-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide
PubChem CID70034110
Molecular FormulaC8H18BrN5
Molecular Weight264.17 g/mol
Exact Mass263.07
IUPAC NameN-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N=C(N)N)N1CCCCCC1
InChIInChI=1S/C8H17N5.BrH/c9-7(10)12-8(11)13-5-3-1-2-4-6-13;/h1-6H2,(H5,9,10,11,12);1H
InChIKeyNZQWZMFRWBVUQP-UHFFFAOYSA-N
XLogP0.65
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide?
The IUPAC name of N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide (CID 70034110) is N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide.
What is the SMILES notation for N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide?
The canonical SMILES for N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide is Br.[H]/N=C(\N=C(N)N)N1CCCCCC1.
What is the InChIKey of N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide?
The InChIKey is NZQWZMFRWBVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5.BrH/c9-7(10)12-8(11)13-5-3-1-2-4-6-13;/h1-6H2,(H5,9,10,11,12);1H.
What are the key properties of N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide?
N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide has a molecular weight of 264.17 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide is sourced from PubChem (CID 70034110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).