N'-carbamimidoyl-4-ethylazepane-1-carboximidamide

C10H21N5 — CID 176546918

IUPACN'-carbamimidoyl-4-ethylazepane-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCCC(CC)CC1
InChIInChI=1S/C10H21N5/c1-2-8-4-3-6-15(7-5-8)10(13)14-9(11)12/h8H,2-7H2,1H3,(H5,11,12,13,14)
InChIKeyJBENHQNECDLRDQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.71
Rot. Bonds1

About N'-carbamimidoyl-4-ethylazepane-1-carboximidamide

N'-carbamimidoyl-4-ethylazepane-1-carboximidamide (PubChem CID 176546918) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-carbamimidoyl-4-ethylazepane-1-carboximidamide.

Molecular Properties

Compound NameN'-carbamimidoyl-4-ethylazepane-1-carboximidamide
PubChem CID176546918
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC NameN'-carbamimidoyl-4-ethylazepane-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCCC(CC)CC1
InChIInChI=1S/C10H21N5/c1-2-8-4-3-6-15(7-5-8)10(13)14-9(11)12/h8H,2-7H2,1H3,(H5,11,12,13,14)
InChIKeyJBENHQNECDLRDQ-UHFFFAOYSA-N
XLogP0.71
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.71
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

4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 54304139
N',4-diethylpiperidine-1-carboximidamide
CID 62361453
N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
CID 176546988
N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
CID 176547017
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide
CID 176546906
N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
CID 176546987
N'-cyclohexyl-3-ethylpiperidine-1-carboximidamide
CID 62362939
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
CID 123226101
N,4-diethylazepane-1-carboxamide
CID 89043568
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-4-ethylazepane-1-carboximidamide?
The IUPAC name of N'-carbamimidoyl-4-ethylazepane-1-carboximidamide (CID 176546918) is N'-carbamimidoyl-4-ethylazepane-1-carboximidamide.
What is the SMILES notation for N'-carbamimidoyl-4-ethylazepane-1-carboximidamide?
The canonical SMILES for N'-carbamimidoyl-4-ethylazepane-1-carboximidamide is [H]/N=C(N)/N=C(\N)N1CCCC(CC)CC1.
What is the InChIKey of N'-carbamimidoyl-4-ethylazepane-1-carboximidamide?
The InChIKey is JBENHQNECDLRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-2-8-4-3-6-15(7-5-8)10(13)14-9(11)12/h8H,2-7H2,1H3,(H5,11,12,13,14).
What are the key properties of N'-carbamimidoyl-4-ethylazepane-1-carboximidamide?
N'-carbamimidoyl-4-ethylazepane-1-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-4-ethylazepane-1-carboximidamide is sourced from PubChem (CID 176546918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).