N'-propanimidoylpropanimidamide

C6H13N3 — CID 58804639

IUPACN'-propanimidoylpropanimidamide
SMILES[H]/N=C(CC)/N=C(/N)CC
InChIInChI=1S/C6H13N3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3,(H3,7,8,9)
InChIKeyMHQDBYVMVPRUMO-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.14
Rot. Bonds2

About N'-propanimidoylpropanimidamide

N'-propanimidoylpropanimidamide (PubChem CID 58804639) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-propanimidoylpropanimidamide.

Molecular Properties

Compound NameN'-propanimidoylpropanimidamide
PubChem CID58804639
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-propanimidoylpropanimidamide
SMILES[H]/N=C(CC)/N=C(/N)CC
InChIInChI=1S/C6H13N3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3,(H3,7,8,9)
InChIKeyMHQDBYVMVPRUMO-UHFFFAOYSA-N
XLogP1.14
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.14
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

Propionamidine hydrochloride
CID 415117
Butanimidamide
CID 18182
N-methylpropanimidamide hydrochloride
CID 88163200
1-Azanylpropylideneazanium
CID 6346752
n-Acetimidoylacetamidine
CID 11448202
3,4-Dihydro-2-imino-2H-pyrrol-5-amine
CID 230928
N-Carbamimidoylethanimidamide
CID 55281893
N-Cyanopropanimidamide
CID 12706424
(1E)-N'-Methylpropanimidamide
CID 22463764
N-(1-aminoethylidene)-2-fluoroethanimidamide
CID 59660942
N'-(2,2,2-trifluoroethanimidoyl)propanimidamide
CID 90050639
2-fluoro-N'-methylpropanimidamide
CID 91141479

Frequently Asked Questions

What is the IUPAC name of N'-propanimidoylpropanimidamide?
The IUPAC name of N'-propanimidoylpropanimidamide (CID 58804639) is N'-propanimidoylpropanimidamide.
What is the SMILES notation for N'-propanimidoylpropanimidamide?
The canonical SMILES for N'-propanimidoylpropanimidamide is [H]/N=C(CC)/N=C(/N)CC.
What is the InChIKey of N'-propanimidoylpropanimidamide?
The InChIKey is MHQDBYVMVPRUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3,(H3,7,8,9).
What are the key properties of N'-propanimidoylpropanimidamide?
N'-propanimidoylpropanimidamide has a molecular weight of 127.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propanimidoylpropanimidamide is sourced from PubChem (CID 58804639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).