1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine

C11H24N4 — CID 118489738

IUPAC1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CCCNC
InChIInChI=1S/C11H24N4/c1-6-8-13-11(14(3)4)15(5)10-7-9-12-2/h6,8,12H,7,9-10H2,1-5H3/b8-6+,13-11+
InChIKeyYXCRHBVOIQMCSJ-VAFZVJGJSA-N
MW212.34 g/mol
LogP0.98
Rot. Bonds5

About 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine

1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine (PubChem CID 118489738) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine
PubChem CID118489738
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CCCNC
InChIInChI=1S/C11H24N4/c1-6-8-13-11(14(3)4)15(5)10-7-9-12-2/h6,8,12H,7,9-10H2,1-5H3/b8-6+,13-11+
InChIKeyYXCRHBVOIQMCSJ-VAFZVJGJSA-N
XLogP0.98
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
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 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine?
The IUPAC name of 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine (CID 118489738) is 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine.
What is the SMILES notation for 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine?
The canonical SMILES for 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine is C/C=C/N=C(\N(C)C)N(C)CCCNC.
What is the InChIKey of 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine?
The InChIKey is YXCRHBVOIQMCSJ-VAFZVJGJSA-N. The full InChI is InChI=1S/C11H24N4/c1-6-8-13-11(14(3)4)15(5)10-7-9-12-2/h6,8,12H,7,9-10H2,1-5H3/b8-6+,13-11+.
What are the key properties of 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine?
1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine is sourced from PubChem (CID 118489738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).