N-amino-2-ethyl-N'-propylazepane-1-carboximidamide

C12H26N4 — CID 104888675

IUPACN-amino-2-ethyl-N'-propylazepane-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCCCC1CC
InChIInChI=1S/C12H26N4/c1-3-9-14-12(15-13)16-10-7-5-6-8-11(16)4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyBQPBETFHYYDQSP-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.87
Rot. Bonds3

About N-amino-2-ethyl-N'-propylazepane-1-carboximidamide

N-amino-2-ethyl-N'-propylazepane-1-carboximidamide (PubChem CID 104888675) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-amino-2-ethyl-N'-propylazepane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-ethyl-N'-propylazepane-1-carboximidamide
PubChem CID104888675
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN-amino-2-ethyl-N'-propylazepane-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCCCC1CC
InChIInChI=1S/C12H26N4/c1-3-9-14-12(15-13)16-10-7-5-6-8-11(16)4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyBQPBETFHYYDQSP-UHFFFAOYSA-N
XLogP1.87
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze N-amino-2-ethyl-N'-propylazepane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-N',2-dipropylpiperidine-1-carboximidamide
CID 104887900
N-amino-2-ethyl-N'-(3-methoxypropyl)azepane-1-carboximidamide
CID 104888677
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147
2-ethylazepane-1-carbohydrazide
CID 104691127
N-amino-N'-cyclohexyl-2-propylpiperidine-1-carboximidamide
CID 104887901
2-ethyl-N,N'-dimethylpiperidine-1-carboximidamide
CID 130870401
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869

Frequently Asked Questions

What is the IUPAC name of N-amino-2-ethyl-N'-propylazepane-1-carboximidamide?
The IUPAC name of N-amino-2-ethyl-N'-propylazepane-1-carboximidamide (CID 104888675) is N-amino-2-ethyl-N'-propylazepane-1-carboximidamide.
What is the SMILES notation for N-amino-2-ethyl-N'-propylazepane-1-carboximidamide?
The canonical SMILES for N-amino-2-ethyl-N'-propylazepane-1-carboximidamide is CCC/N=C(\NN)N1CCCCCC1CC.
What is the InChIKey of N-amino-2-ethyl-N'-propylazepane-1-carboximidamide?
The InChIKey is BQPBETFHYYDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-3-9-14-12(15-13)16-10-7-5-6-8-11(16)4-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-2-ethyl-N'-propylazepane-1-carboximidamide?
N-amino-2-ethyl-N'-propylazepane-1-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-ethyl-N'-propylazepane-1-carboximidamide is sourced from PubChem (CID 104888675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).