1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine

C5H11N5 — CID 88996712

IUPAC1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine
SMILESC=C(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C5H11N5/c1-3(2)9-5(8)10-4(6)7/h1H2,2H3,(H6,6,7,8,9,10)
InChIKeySMMUKUSDAIWQKH-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.89
Rot. Bonds1

About 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine

1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine (PubChem CID 88996712) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine
PubChem CID88996712
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine
SMILESC=C(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C5H11N5/c1-3(2)9-5(8)10-4(6)7/h1H2,2H3,(H6,6,7,8,9,10)
InChIKeySMMUKUSDAIWQKH-UHFFFAOYSA-N
XLogP-0.89
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
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

N'-prop-1-en-2-ylmethanimidamide
CID 15791485
N,N'-bis(prop-1-en-2-yl)methanediimine
CID 53630483
N'-prop-1-en-2-ylmethanediimine
CID 53630501
1-Propan-2-ylidene-2-prop-1-en-2-ylguanidine
CID 90064742
N'-prop-1-en-2-ylethanimidamide
CID 91563328
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-prop-1-en-2-ylcarbamimidoyl chloride
CID 123215264
N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
CID 123333180
1-Methylidene-2-prop-1-en-2-ylguanidine
CID 123445193
2-[(Z)-but-2-en-2-yl]-1-methylideneguanidine
CID 126672316
2-(3-Methylbut-1-en-2-yl)guanidine
CID 129238446

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine (CID 88996712) is 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine is C=C(C)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine?
The InChIKey is SMMUKUSDAIWQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-3(2)9-5(8)10-4(6)7/h1H2,2H3,(H6,6,7,8,9,10).
What are the key properties of 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine?
1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine has a molecular weight of 141.18 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-prop-1-en-2-ylguanidine is sourced from PubChem (CID 88996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).