1,3-di(propylidene)guanidine

C7H13N3 — CID 174857851

IUPAC1,3-di(propylidene)guanidine
SMILES[H]N=C(N=CCC)N=CCC
InChIInChI=1S/C7H13N3/c1-3-5-9-7(8)10-6-4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXGCATXQEJBMDAP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.88
Rot. Bonds2

About 1,3-di(propylidene)guanidine

1,3-di(propylidene)guanidine (PubChem CID 174857851) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,3-di(propylidene)guanidine.

Molecular Properties

Compound Name1,3-di(propylidene)guanidine
PubChem CID174857851
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,3-di(propylidene)guanidine
SMILES[H]N=C(N=CCC)N=CCC
InChIInChI=1S/C7H13N3/c1-3-5-9-7(8)10-6-4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXGCATXQEJBMDAP-UHFFFAOYSA-N
XLogP1.88
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
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

1-(diaminomethylidene)-3-propylideneguanidine
CID 174393528
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
propylidenethiourea
CID 57195256
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
(Z)-2-(propylideneamino)prop-1-ene-1-thiol
CID 170975270
(Z)-N,N-dimethyl-3-(propylideneamino)but-2-en-2-amine
CID 122697757
(Z)-2-(propylideneamino)but-2-enal
CID 169111295
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
2-(propylideneamino)prop-2-enenitrile
CID 90933430
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
3-hydroxy-N'-methyl-N-propylidenepropanimidamide
CID 153400535
N-penta-1,3,4-trien-2-ylpropan-1-imine
CID 123516148

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propylidene)guanidine?
The IUPAC name of 1,3-di(propylidene)guanidine (CID 174857851) is 1,3-di(propylidene)guanidine.
What is the SMILES notation for 1,3-di(propylidene)guanidine?
The canonical SMILES for 1,3-di(propylidene)guanidine is [H]N=C(N=CCC)N=CCC.
What is the InChIKey of 1,3-di(propylidene)guanidine?
The InChIKey is XGCATXQEJBMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-9-7(8)10-6-4-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1,3-di(propylidene)guanidine?
1,3-di(propylidene)guanidine has a molecular weight of 139.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propylidene)guanidine is sourced from PubChem (CID 174857851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).