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

C16H32N4O — CID 109482999

IUPACN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide
SMILESC=CCCCCCN(C)/C(=N/C)NCCNC(=O)C(C)C
InChIInChI=1S/C16H32N4O/c1-6-7-8-9-10-13-20(5)16(17-4)19-12-11-18-15(21)14(2)3/h6,14H,1,7-13H2,2-5H3,(H,17,19)(H,18,21)
InChIKeyUVKGINMGRJNMET-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.01
Rot. Bonds10

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

N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide (PubChem CID 109482999) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide
PubChem CID109482999
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide
SMILESC=CCCCCCN(C)/C(=N/C)NCCNC(=O)C(C)C
InChIInChI=1S/C16H32N4O/c1-6-7-8-9-10-13-20(5)16(17-4)19-12-11-18-15(21)14(2)3/h6,14H,1,7-13H2,2-5H3,(H,17,19)(H,18,21)
InChIKeyUVKGINMGRJNMET-UHFFFAOYSA-N
XLogP2.01
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.01
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 N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide (CID 109482999) is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide is C=CCCCCCN(C)/C(=N/C)NCCNC(=O)C(C)C.
What is the InChIKey of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is UVKGINMGRJNMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-6-7-8-9-10-13-20(5)16(17-4)19-12-11-18-15(21)14(2)3/h6,14H,1,7-13H2,2-5H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide?
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 109482999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).