N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide

C12H22N4 — CID 176524920

IUPACN-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide
SMILES[H]/N=C(\N=C(C)NC(=C)C)N1CCCCCC1
InChIInChI=1S/C12H22N4/c1-10(2)14-11(3)15-12(13)16-8-6-4-5-7-9-16/h1,4-9H2,2-3H3,(H2,13,14,15)
InChIKeyKOWSTBKRXTZXPY-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.34
Rot. Bonds1

About N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide

N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide (PubChem CID 176524920) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide.

Molecular Properties

Compound NameN-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide
PubChem CID176524920
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide
SMILES[H]/N=C(\N=C(C)NC(=C)C)N1CCCCCC1
InChIInChI=1S/C12H22N4/c1-10(2)14-11(3)15-12(13)16-8-6-4-5-7-9-16/h1,4-9H2,2-3H3,(H2,13,14,15)
InChIKeyKOWSTBKRXTZXPY-UHFFFAOYSA-N
XLogP2.34
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
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

(NZ)-N-(2-methylidenebutylidene)piperidine-1-carboximidamide
CID 143879645
(NE)-N-(hydrazinylmethylidene)azepane-1-carboximidamide
CID 176528675
ethane;1-piperidin-1-ylethanimine
CID 142132316
butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate
CID 176546412
N-(piperidine-1-carboximidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176545255
2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
CID 89129366
1-prop-1-en-2-ylpiperidine
CID 12570653
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176523223
N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide
CID 83036777
N-(diaminomethylidene)-1,4-oxazepane-4-carboximidamide
CID 83037181

Frequently Asked Questions

What is the IUPAC name of N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide?
The IUPAC name of N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide (CID 176524920) is N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide.
What is the SMILES notation for N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide?
The canonical SMILES for N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide is [H]/N=C(\N=C(C)NC(=C)C)N1CCCCCC1.
What is the InChIKey of N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide?
The InChIKey is KOWSTBKRXTZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)14-11(3)15-12(13)16-8-6-4-5-7-9-16/h1,4-9H2,2-3H3,(H2,13,14,15).
What are the key properties of N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide?
N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide has a molecular weight of 222.34 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide is sourced from PubChem (CID 176524920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).