2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide

C15H30N4O — CID 109483239

IUPAC2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NCCC
InChIInChI=1S/C15H30N4O/c1-5-7-8-9-10-12-19(4)15(16-3)18-13-14(20)17-11-6-2/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20)
InChIKeyUPODDBXVPWWFJS-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.77
Rot. Bonds10

About 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide

2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide (PubChem CID 109483239) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide
PubChem CID109483239
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NCCC
InChIInChI=1S/C15H30N4O/c1-5-7-8-9-10-12-19(4)15(16-3)18-13-14(20)17-11-6-2/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20)
InChIKeyUPODDBXVPWWFJS-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide (CID 109483239) is 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide is C=CCCCCCN(C)/C(=N/C)NCC(=O)NCCC.
What is the InChIKey of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide?
The InChIKey is UPODDBXVPWWFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-7-8-9-10-12-19(4)15(16-3)18-13-14(20)17-11-6-2/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20).
What are the key properties of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide?
2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide has a molecular weight of 282.43 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide is sourced from PubChem (CID 109483239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).