N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide

C10H22N4O — CID 59110202

IUPACN-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide
SMILESC/N=C(\N(C)C)N(C)C(C)(C)NC(C)=O
InChIInChI=1S/C10H22N4O/c1-8(15)12-10(2,3)14(7)9(11-4)13(5)6/h1-7H3,(H,12,15)/b11-9+
InChIKeyYTXGHJIMKHGUBI-PKNBQFBNSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds2

About N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide

N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide (PubChem CID 59110202) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide
PubChem CID59110202
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide
SMILESC/N=C(\N(C)C)N(C)C(C)(C)NC(C)=O
InChIInChI=1S/C10H22N4O/c1-8(15)12-10(2,3)14(7)9(11-4)13(5)6/h1-7H3,(H,12,15)/b11-9+
InChIKeyYTXGHJIMKHGUBI-PKNBQFBNSA-N
XLogP0.34
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide?
The IUPAC name of N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide (CID 59110202) is N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide is C/N=C(\N(C)C)N(C)C(C)(C)NC(C)=O.
What is the InChIKey of N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide?
The InChIKey is YTXGHJIMKHGUBI-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(15)12-10(2,3)14(7)9(11-4)13(5)6/h1-7H3,(H,12,15)/b11-9+.
What are the key properties of N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide?
N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 59110202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).