N-(diaminomethylidene)-4-methylazepane-1-carboximidamide

C9H19N5 — CID 83037348

IUPACN-(diaminomethylidene)-4-methylazepane-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC(C)CC1
InChIInChI=1S/C9H19N5/c1-7-3-2-5-14(6-4-7)9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyHCAGFFNPVNHICD-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.32
Rot. Bonds

About N-(diaminomethylidene)-4-methylazepane-1-carboximidamide

N-(diaminomethylidene)-4-methylazepane-1-carboximidamide (PubChem CID 83037348) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-methylazepane-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-methylazepane-1-carboximidamide
PubChem CID83037348
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-(diaminomethylidene)-4-methylazepane-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC(C)CC1
InChIInChI=1S/C9H19N5/c1-7-3-2-5-14(6-4-7)9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyHCAGFFNPVNHICD-UHFFFAOYSA-N
XLogP0.32
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.32
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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Related Compounds

N-[amino(imino)methyl]azepane-1-carboximidamide
CID 10236048
2-[2-(3,5-Dimethylazepan-1-yl)ethyl]guanidine
CID 200822
2-[2-(4-Methylazepan-1-yl)ethyl]guanidine
CID 200938
N-(diaminomethylidene)azepane-1-carboximidamide;hydrochloride
CID 18760932
N'-methylazepane-1-carboximidamide
CID 20383487
1,2-Dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine
CID 59140966
4-Methylazepane-1-carboximidamide
CID 63627751
4-Ethylazepane-1-carboximidamide
CID 64356251
2-[5-(4-Methylazepan-1-yl)pentyl]guanidine
CID 66579947
2-[5-(4-Ethylazepan-1-yl)pentyl]guanidine
CID 68185850
N-(diaminomethylidene)azepane-1-carboximidamide;hydrobromide
CID 70034110
N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide
CID 71514801

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-methylazepane-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4-methylazepane-1-carboximidamide (CID 83037348) is N-(diaminomethylidene)-4-methylazepane-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4-methylazepane-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4-methylazepane-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCCC(C)CC1.
What is the InChIKey of N-(diaminomethylidene)-4-methylazepane-1-carboximidamide?
The InChIKey is HCAGFFNPVNHICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-7-3-2-5-14(6-4-7)9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-4-methylazepane-1-carboximidamide?
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide has a molecular weight of 197.29 g/mol, XLogP of 0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-methylazepane-1-carboximidamide is sourced from PubChem (CID 83037348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).