2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide

C10H20N4O — CID 103111147

IUPAC2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)N/C(N)=N/C1CC1
InChIInChI=1S/C10H20N4O/c1-4-14(3)9(15)7(2)12-10(11)13-8-5-6-8/h7-8H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyIJZBWHHZGXLJBA-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.08
Rot. Bonds4

About 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide

2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103111147) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103111147
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)N/C(N)=N/C1CC1
InChIInChI=1S/C10H20N4O/c1-4-14(3)9(15)7(2)12-10(11)13-8-5-6-8/h7-8H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyIJZBWHHZGXLJBA-UHFFFAOYSA-N
XLogP-0.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide (CID 103111147) is 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)N/C(N)=N/C1CC1.
What is the InChIKey of 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is IJZBWHHZGXLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-14(3)9(15)7(2)12-10(11)13-8-5-6-8/h7-8H,4-6H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide?
2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 212.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103111147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).