2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine

C10H21N3 — CID 135246482

IUPAC2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine
SMILESC=C/N=C(\N(C)C)N(C)CC(C)C
InChIInChI=1S/C10H21N3/c1-7-11-10(12(4)5)13(6)8-9(2)3/h7,9H,1,8H2,2-6H3/b11-10+
InChIKeyMKABNMNNJAKHKD-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.64
Rot. Bonds3

About 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine

2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine (PubChem CID 135246482) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine
PubChem CID135246482
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine
SMILESC=C/N=C(\N(C)C)N(C)CC(C)C
InChIInChI=1S/C10H21N3/c1-7-11-10(12(4)5)13(6)8-9(2)3/h7,9H,1,8H2,2-6H3/b11-10+
InChIKeyMKABNMNNJAKHKD-ZHACJKMWSA-N
XLogP1.64
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine (CID 135246482) is 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine is C=C/N=C(\N(C)C)N(C)CC(C)C.
What is the InChIKey of 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine?
The InChIKey is MKABNMNNJAKHKD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-7-11-10(12(4)5)13(6)8-9(2)3/h7,9H,1,8H2,2-6H3/b11-10+.
What are the key properties of 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine?
2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,1,3-trimethyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 135246482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).