N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide

C10H22N6 — CID 176546988

IUPACN'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCC(N(CC)CC)C1
InChIInChI=1S/C10H22N6/c1-3-15(4-2)8-5-6-16(7-8)10(13)14-9(11)12/h8H,3-7H2,1-2H3,(H5,11,12,13,14)
InChIKeyQFXHOCKRGUVZMI-UHFFFAOYSA-N
MW226.33 g/mol
LogP-0.39
Rot. Bonds3

About N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide

N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide (PubChem CID 176546988) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
PubChem CID176546988
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC NameN'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCC(N(CC)CC)C1
InChIInChI=1S/C10H22N6/c1-3-15(4-2)8-5-6-16(7-8)10(13)14-9(11)12/h8H,3-7H2,1-2H3,(H5,11,12,13,14)
InChIKeyQFXHOCKRGUVZMI-UHFFFAOYSA-N
XLogP-0.39
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
CID 176546987
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
CID 176547017
N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine
CID 63181322
3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide
CID 55225122
N'-carbamimidoyl-4-ethylazepane-1-carboximidamide
CID 176546918
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide
CID 176546906
1-[3-(diethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopropane-1-carboximidamide
CID 80593720
ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide (CID 176546988) is N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide is [H]/N=C(N)/N=C(\N)N1CCC(N(CC)CC)C1.
What is the InChIKey of N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide?
The InChIKey is QFXHOCKRGUVZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-3-15(4-2)8-5-6-16(7-8)10(13)14-9(11)12/h8H,3-7H2,1-2H3,(H5,11,12,13,14).
What are the key properties of N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide?
N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide has a molecular weight of 226.33 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 176546988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).