N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide

C9H19N5 — CID 91078289

IUPACN-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)CC)N1CCN(C)CC1
InChIInChI=1S/C9H19N5/c1-3-8(10)12-9(11)14-6-4-13(2)5-7-14/h3-7H2,1-2H3,(H3,10,11,12)
InChIKeyHLQQUYKYUQFSTN-UHFFFAOYSA-N
MW197.29 g/mol
LogP-0.06
Rot. Bonds1

About N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide

N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide (PubChem CID 91078289) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide
PubChem CID91078289
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)CC)N1CCN(C)CC1
InChIInChI=1S/C9H19N5/c1-3-8(10)12-9(11)14-6-4-13(2)5-7-14/h3-7H2,1-2H3,(H3,10,11,12)
InChIKeyHLQQUYKYUQFSTN-UHFFFAOYSA-N
XLogP-0.06
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
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

4-methyl-N'-propylpiperazine-1-carboximidamide
CID 62360845
1-Piperazinecarboximidamide, N-(aminoiminomethyl)-4-ethyl-
CID 71668634
3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide
CID 123479235
N-butylidene-N'-ethylpiperazine-1-carboximidamide
CID 123709874
3-Imino-3-(4-methylpiperazin-1-yl)propanimidamide
CID 123745737
1-Propanimidoylpiperazin-2-amine
CID 132238544
N'-carbamimidoyl-4-ethylpiperazine-1-carboximidamide
CID 137705682
2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine
CID 141302210
N'-[amino-(4-methylpiperazin-1-yl)methyl]propanimidamide
CID 144105538
(NZ)-N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide
CID 144105581
(NE)-N-butan-2-ylidene-4-methylpiperazine-1-carboximidamide;methane
CID 144105591
(NE)-N-butan-2-ylidene-4-methylpiperazine-1-carboximidamide
CID 144105592

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide (CID 91078289) is N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide is [H]/N=C(\N=C(N)CC)N1CCN(C)CC1.
What is the InChIKey of N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide?
The InChIKey is HLQQUYKYUQFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-8(10)12-9(11)14-6-4-13(2)5-7-14/h3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide?
N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide has a molecular weight of 197.29 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 91078289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).