1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine

C14H31N3 — CID 12848651

IUPAC1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)/N=C(\N(C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C14H31N3/c1-10(2)15-14(16(9)11(3)4)17(12(5)6)13(7)8/h10-13H,1-9H3/b15-14+
InChIKeySNMBMWSDHVLDOY-CCEZHUSRSA-N
MW241.42 g/mol
LogP3.21
Rot. Bonds4

About 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine

1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine (PubChem CID 12848651) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine
PubChem CID12848651
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)/N=C(\N(C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C14H31N3/c1-10(2)15-14(16(9)11(3)4)17(12(5)6)13(7)8/h10-13H,1-9H3/b15-14+
InChIKeySNMBMWSDHVLDOY-CCEZHUSRSA-N
XLogP3.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.21
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 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine?
The IUPAC name of 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine (CID 12848651) is 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine.
What is the SMILES notation for 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine?
The canonical SMILES for 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine is CC(C)/N=C(\N(C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine?
The InChIKey is SNMBMWSDHVLDOY-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H31N3/c1-10(2)15-14(16(9)11(3)4)17(12(5)6)13(7)8/h10-13H,1-9H3/b15-14+.
What are the key properties of 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine?
1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine has a molecular weight of 241.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,3-tetra(propan-2-yl)guanidine is sourced from PubChem (CID 12848651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).