2-[3-(diaminomethylideneamino)propyl]guanidine

C5H14N6 — CID 6453661

IUPAC2-[3-(diaminomethylideneamino)propyl]guanidine
SMILESNC(N)=NCCCN=C(N)N
InChIInChI=1S/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11)
InChIKeyMSPDCJMYQNYOSY-UHFFFAOYSA-N
MW158.21 g/mol
LogP-2.08
Rot. Bonds4

About 2-[3-(diaminomethylideneamino)propyl]guanidine

2-[3-(diaminomethylideneamino)propyl]guanidine (PubChem CID 6453661) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 2-[3-(diaminomethylideneamino)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(diaminomethylideneamino)propyl]guanidine
PubChem CID6453661
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name2-[3-(diaminomethylideneamino)propyl]guanidine
SMILESNC(N)=NCCCN=C(N)N
InChIInChI=1S/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11)
InChIKeyMSPDCJMYQNYOSY-UHFFFAOYSA-N
XLogP-2.08
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
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 2-[3-(diaminomethylideneamino)propyl]guanidine?
The IUPAC name of 2-[3-(diaminomethylideneamino)propyl]guanidine (CID 6453661) is 2-[3-(diaminomethylideneamino)propyl]guanidine.
What is the SMILES notation for 2-[3-(diaminomethylideneamino)propyl]guanidine?
The canonical SMILES for 2-[3-(diaminomethylideneamino)propyl]guanidine is NC(N)=NCCCN=C(N)N.
What is the InChIKey of 2-[3-(diaminomethylideneamino)propyl]guanidine?
The InChIKey is MSPDCJMYQNYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11).
What are the key properties of 2-[3-(diaminomethylideneamino)propyl]guanidine?
2-[3-(diaminomethylideneamino)propyl]guanidine has a molecular weight of 158.21 g/mol, XLogP of -2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diaminomethylideneamino)propyl]guanidine is sourced from PubChem (CID 6453661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).