1-ethenyl-2-propan-2-ylguanidine

C6H13N3 — CID 147357883

IUPAC1-ethenyl-2-propan-2-ylguanidine
SMILESC=CN/C(N)=N/C(C)C
InChIInChI=1S/C6H13N3/c1-4-8-6(7)9-5(2)3/h4-5H,1H2,2-3H3,(H3,7,8,9)
InChIKeyDGQZUQRQHGVQEN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds2

About 1-ethenyl-2-propan-2-ylguanidine

1-ethenyl-2-propan-2-ylguanidine (PubChem CID 147357883) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-ethenyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-ethenyl-2-propan-2-ylguanidine
PubChem CID147357883
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-ethenyl-2-propan-2-ylguanidine
SMILESC=CN/C(N)=N/C(C)C
InChIInChI=1S/C6H13N3/c1-4-8-6(7)9-5(2)3/h4-5H,1H2,2-3H3,(H3,7,8,9)
InChIKeyDGQZUQRQHGVQEN-UHFFFAOYSA-N
XLogP0.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
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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Related Compounds

N-ethenyl-N'-propan-2-ylcarbamimidoyl fluoride
CID 146392697
1-propan-2-yl-1H-imidazol-1-ium
CID 22597213
N-ethenyl-N'-propan-2-ylmethanimidamide
CID 23558871
N-ethenyl-N'-methylmethanimidamide
CID 53952707
6-Methylidene-1-propan-2-yl-3,4-ditritio-1,3,5-triazin-1-ium
CID 58196212
N-(ethenyliminomethyl)propan-2-amine;yttrium
CID 59037963
[Amino-(ethenylamino)methylidene]-methylazanium
CID 59124434
1-Ethenyl-2-methylguanidine
CID 59124435
N-ethenyl-N'-ethylmethanimidamide
CID 91351527
2-methyl-1-[(E)-prop-1-enyl]guanidine
CID 101912208
N-ethenyl-N'-(methyliminomethyl)methanimidamide
CID 118973107
N-ethenyl-N'-propan-2-ylethanimidamide
CID 123229042

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-propan-2-ylguanidine?
The IUPAC name of 1-ethenyl-2-propan-2-ylguanidine (CID 147357883) is 1-ethenyl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-ethenyl-2-propan-2-ylguanidine?
The canonical SMILES for 1-ethenyl-2-propan-2-ylguanidine is C=CN/C(N)=N/C(C)C.
What is the InChIKey of 1-ethenyl-2-propan-2-ylguanidine?
The InChIKey is DGQZUQRQHGVQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-8-6(7)9-5(2)3/h4-5H,1H2,2-3H3,(H3,7,8,9).
What are the key properties of 1-ethenyl-2-propan-2-ylguanidine?
1-ethenyl-2-propan-2-ylguanidine has a molecular weight of 127.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-propan-2-ylguanidine is sourced from PubChem (CID 147357883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).