N-(aminomethylidene)methanimidamide;propane

C5H13N3 — CID 144947195

IUPACN-(aminomethylidene)methanimidamide;propane
SMILESCCC.[H]/N=C/N=C/N
InChIInChI=1S/C3H8.C2H5N3/c1-3-2;3-1-5-2-4/h3H2,1-2H3;1-2H,(H3,3,4,5)
InChIKeyDQQGNTIGOVKAGD-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.00
Rot. Bonds1

About N-(aminomethylidene)methanimidamide;propane

N-(aminomethylidene)methanimidamide;propane (PubChem CID 144947195) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(aminomethylidene)methanimidamide;propane.

Molecular Properties

Compound NameN-(aminomethylidene)methanimidamide;propane
PubChem CID144947195
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN-(aminomethylidene)methanimidamide;propane
SMILESCCC.[H]/N=C/N=C/N
InChIInChI=1S/C3H8.C2H5N3/c1-3-2;3-1-5-2-4/h3H2,1-2H3;1-2H,(H3,3,4,5)
InChIKeyDQQGNTIGOVKAGD-UHFFFAOYSA-N
XLogP1.00
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)methanimidamide;propane?
The IUPAC name of N-(aminomethylidene)methanimidamide;propane (CID 144947195) is N-(aminomethylidene)methanimidamide;propane.
What is the SMILES notation for N-(aminomethylidene)methanimidamide;propane?
The canonical SMILES for N-(aminomethylidene)methanimidamide;propane is CCC.[H]/N=C/N=C/N.
What is the InChIKey of N-(aminomethylidene)methanimidamide;propane?
The InChIKey is DQQGNTIGOVKAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H5N3/c1-3-2;3-1-5-2-4/h3H2,1-2H3;1-2H,(H3,3,4,5).
What are the key properties of N-(aminomethylidene)methanimidamide;propane?
N-(aminomethylidene)methanimidamide;propane has a molecular weight of 115.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)methanimidamide;propane is sourced from PubChem (CID 144947195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).