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

C16H30N4O — CID 109483163

IUPACN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
SMILESC=CCCCCCN(C)/C(=N\C)NCCNC(=O)C1CC1
InChIInChI=1S/C16H30N4O/c1-4-5-6-7-8-13-20(3)16(17-2)19-12-11-18-15(21)14-9-10-14/h4,14H,1,5-13H2,2-3H3,(H,17,19)(H,18,21)
InChIKeyULPFIULVJNOYSI-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.77
Rot. Bonds10

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

N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 109483163) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID109483163
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
SMILESC=CCCCCCN(C)/C(=N\C)NCCNC(=O)C1CC1
InChIInChI=1S/C16H30N4O/c1-4-5-6-7-8-13-20(3)16(17-2)19-12-11-18-15(21)14-9-10-14/h4,14H,1,5-13H2,2-3H3,(H,17,19)(H,18,21)
InChIKeyULPFIULVJNOYSI-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
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'}

Analyze N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide (CID 109483163) is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide is C=CCCCCCN(C)/C(=N\C)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is ULPFIULVJNOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-5-6-7-8-13-20(3)16(17-2)19-12-11-18-15(21)14-9-10-14/h4,14H,1,5-13H2,2-3H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 294.44 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 N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 109483163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).