1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine

C10H23N5 — CID 121322018

IUPAC1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine
SMILESCC(C)C/N=C(\N)N=C(N(C)C)N(C)C
InChIInChI=1S/C10H23N5/c1-8(2)7-12-9(11)13-10(14(3)4)15(5)6/h8H,7H2,1-6H3,(H2,11,12)
InChIKeyFSECDODUYXIKGD-UHFFFAOYSA-N
MW213.33 g/mol
LogP0.44
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine

1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine (PubChem CID 121322018) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine
PubChem CID121322018
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine
SMILESCC(C)C/N=C(\N)N=C(N(C)C)N(C)C
InChIInChI=1S/C10H23N5/c1-8(2)7-12-9(11)13-10(14(3)4)15(5)6/h8H,7H2,1-6H3,(H2,11,12)
InChIKeyFSECDODUYXIKGD-UHFFFAOYSA-N
XLogP0.44
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
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 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine (CID 121322018) is 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine is CC(C)C/N=C(\N)N=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine?
The InChIKey is FSECDODUYXIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-8(2)7-12-9(11)13-10(14(3)4)15(5)6/h8H,7H2,1-6H3,(H2,11,12).
What are the key properties of 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine?
1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine has a molecular weight of 213.33 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[N'-(2-methylpropyl)carbamimidoyl]guanidine is sourced from PubChem (CID 121322018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).