1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine

C11H23N5 — CID 131992426

IUPAC1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
SMILESC=CC/N=C(/N/C(=N/C)N(C)C)NC(C)C
InChIInChI=1S/C11H23N5/c1-7-8-13-10(14-9(2)3)15-11(12-4)16(5)6/h7,9H,1,8H2,2-6H3,(H2,12,13,14,15)
InChIKeyFSWNJTXDACXHAV-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.66
Rot. Bonds3

About 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine

1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine (PubChem CID 131992426) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
PubChem CID131992426
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
SMILESC=CC/N=C(/N/C(=N/C)N(C)C)NC(C)C
InChIInChI=1S/C11H23N5/c1-7-8-13-10(14-9(2)3)15-11(12-4)16(5)6/h7,9H,1,8H2,2-6H3,(H2,12,13,14,15)
InChIKeyFSWNJTXDACXHAV-UHFFFAOYSA-N
XLogP0.66
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine?
The IUPAC name of 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine (CID 131992426) is 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine is C=CC/N=C(/N/C(=N/C)N(C)C)NC(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine?
The InChIKey is FSWNJTXDACXHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-7-8-13-10(14-9(2)3)15-11(12-4)16(5)6/h7,9H,1,8H2,2-6H3,(H2,12,13,14,15).
What are the key properties of 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine?
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine has a molecular weight of 225.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine is sourced from PubChem (CID 131992426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).