1-(3-aminopropyl)-3-(diaminomethylidene)guanidine

C5H14N6 — CID 176548205

IUPAC1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(/N=C(N)N)NCCCN
InChIInChI=1S/C5H14N6/c6-2-1-3-10-5(9)11-4(7)8/h1-3,6H2,(H6,7,8,9,10,11)
InChIKeyXKFDVLUHBRJZQF-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.87
Rot. Bonds3

About 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine

1-(3-aminopropyl)-3-(diaminomethylidene)guanidine (PubChem CID 176548205) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
PubChem CID176548205
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(/N=C(N)N)NCCCN
InChIInChI=1S/C5H14N6/c6-2-1-3-10-5(9)11-4(7)8/h1-3,6H2,(H6,7,8,9,10,11)
InChIKeyXKFDVLUHBRJZQF-UHFFFAOYSA-N
XLogP-1.87
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
The IUPAC name of 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine (CID 176548205) is 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine.
What is the SMILES notation for 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
The canonical SMILES for 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine is [H]/N=C(/N=C(N)N)NCCCN.
What is the InChIKey of 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
The InChIKey is XKFDVLUHBRJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c6-2-1-3-10-5(9)11-4(7)8/h1-3,6H2,(H6,7,8,9,10,11).
What are the key properties of 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
1-(3-aminopropyl)-3-(diaminomethylidene)guanidine has a molecular weight of 158.21 g/mol, XLogP of -1.87, 3 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(diaminomethylidene)guanidine is sourced from PubChem (CID 176548205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).