butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate

C10H20N4O — CID 176546412

IUPACbutyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate
SMILES[H]/N=C(\N=C(N)OCCCC)N1CCCC1
InChIInChI=1S/C10H20N4O/c1-2-3-8-15-10(12)13-9(11)14-6-4-5-7-14/h2-8H2,1H3,(H3,11,12,13)
InChIKeyYJPKTBLCRVIZSI-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.15
Rot. Bonds3

About butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate

butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate (PubChem CID 176546412) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate.

Molecular Properties

Compound Namebutyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate
PubChem CID176546412
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Namebutyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate
SMILES[H]/N=C(\N=C(N)OCCCC)N1CCCC1
InChIInChI=1S/C10H20N4O/c1-2-3-8-15-10(12)13-9(11)14-6-4-5-7-14/h2-8H2,1H3,(H3,11,12,13)
InChIKeyYJPKTBLCRVIZSI-UHFFFAOYSA-N
XLogP1.15
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate
CID 123811256
O-butyl piperidine-1-carbothioate
CID 86098621
butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 57232274
N-(diaminomethylidene)-4-ethoxypiperidine-1-carboximidamide
CID 83031921
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
N-[1-(prop-1-en-2-ylamino)ethylidene]azepane-1-carboximidamide
CID 176524920
2-pyrrolidin-1-yloct-1-en-3-imine
CID 142437809
N-(diaminomethylidene)-1,4-oxazepane-4-carboximidamide
CID 83037181
4-N-[amino-[dodecyl(methyl)amino]methylidene]-1-N'-(N,N-dimethylcarbamimidoyl)piperazine-1,4-dicarboximidamide;dihydrochloride
CID 70523461
(NZ)-N-(2-methylidenebutylidene)piperidine-1-carboximidamide
CID 143879645
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277

Frequently Asked Questions

What is the IUPAC name of butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate?
The IUPAC name of butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate (CID 176546412) is butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate.
What is the SMILES notation for butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate?
The canonical SMILES for butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate is [H]/N=C(\N=C(N)OCCCC)N1CCCC1.
What is the InChIKey of butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate?
The InChIKey is YJPKTBLCRVIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-3-8-15-10(12)13-9(11)14-6-4-5-7-14/h2-8H2,1H3,(H3,11,12,13).
What are the key properties of butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate?
butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate has a molecular weight of 212.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N'-(pyrrolidine-1-carboximidoyl)carbamimidate is sourced from PubChem (CID 176546412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).