N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide

C9H19N5 — CID 83036360

IUPACN-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC1C(C)C
InChIInChI=1S/C9H19N5/c1-6(2)7-4-3-5-14(7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyQCBOOWSFESNBPK-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.31
Rot. Bonds1

About N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 83036360) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID83036360
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC1C(C)C
InChIInChI=1S/C9H19N5/c1-6(2)7-4-3-5-14(7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyQCBOOWSFESNBPK-UHFFFAOYSA-N
XLogP0.31
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.31
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

(5S)-1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
CID 118735447
(5S)-1-heptyl-5-[4-[(4R)-2-imino-3-(2-methylbutyl)-4-propylimidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
CID 118735453
1-(1-Carbamimidoylpyrrolidin-3-yl)propan-2-ylazanide
CID 21018795
2-(2-Methylpropyl)pyrrolidine-1-carboximidamide
CID 21018800
2-Propan-2-ylpyrrolidine-1-carboximidamide
CID 21018801
3-(2-Methylpropyl)pyrrolidine-1-carboximidamide
CID 21018803
1-Cyano-1-(5-methylhexan-2-yl)guanidine
CID 22382737
3-Propylpyrrolidine-1-carboximidamide
CID 68188511
N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide
CID 71514800
N-cyano-N',3-dipropylpyrrolidine-1-carboximidamide
CID 89173669
2-Tert-butylpyrrolidine-1-carboximidamide
CID 118267616
1-Heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
CID 123177615

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide (CID 83036360) is N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCCC1C(C)C.
What is the InChIKey of N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is QCBOOWSFESNBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-6(2)7-4-3-5-14(7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 197.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 83036360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).