2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine

C12H27N5 — CID 11128455

IUPAC2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine
SMILESCC(C)/N=C(/N=C(N(C)C)N(C)C)NC(C)C
InChIInChI=1S/C12H27N5/c1-9(2)13-11(14-10(3)4)15-12(16(5)6)17(7)8/h9-10H,1-8H3,(H,13,14)
InChIKeyUCRXZJYCOMRCER-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.23
Rot. Bonds2

About 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine

2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine (PubChem CID 11128455) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine
PubChem CID11128455
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC Name2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine
SMILESCC(C)/N=C(/N=C(N(C)C)N(C)C)NC(C)C
InChIInChI=1S/C12H27N5/c1-9(2)13-11(14-10(3)4)15-12(16(5)6)17(7)8/h9-10H,1-8H3,(H,13,14)
InChIKeyUCRXZJYCOMRCER-UHFFFAOYSA-N
XLogP1.23
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.23
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 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine (CID 11128455) is 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine is CC(C)/N=C(/N=C(N(C)C)N(C)C)NC(C)C.
What is the InChIKey of 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is UCRXZJYCOMRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-9(2)13-11(14-10(3)4)15-12(16(5)6)17(7)8/h9-10H,1-8H3,(H,13,14).
What are the key properties of 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine?
2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 241.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 11128455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).