3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide

C16H32N4O — CID 109483309

IUPAC3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)NCCC
InChIInChI=1S/C16H32N4O/c1-5-7-8-9-10-14-20(4)16(17-3)19-13-11-15(21)18-12-6-2/h5H,1,6-14H2,2-4H3,(H,17,19)(H,18,21)
InChIKeyRRRIVLBLVITCJV-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.16
Rot. Bonds11

About 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide

3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide (PubChem CID 109483309) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
PubChem CID109483309
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)NCCC
InChIInChI=1S/C16H32N4O/c1-5-7-8-9-10-14-20(4)16(17-3)19-13-11-15(21)18-12-6-2/h5H,1,6-14H2,2-4H3,(H,17,19)(H,18,21)
InChIKeyRRRIVLBLVITCJV-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.16
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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Related Compounds

methyl 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanoate
CID 109483183
3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483890
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
N-butan-2-yl-3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propanamide
CID 109496205
methyl 5-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]pentanoate
CID 109483865
2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
CID 109483505
tert-butyl N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]carbamate
CID 109484339
1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197
1-hept-6-enyl-1,2-dimethyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 109483536
3-(2-ethylsulfonylethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496093
1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 109483724
3-[2-[ethyl(methyl)amino]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498005

Frequently Asked Questions

What is the IUPAC name of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide (CID 109483309) is 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide is C=CCCCCCN(C)/C(=N/C)NCCC(=O)NCCC.
What is the InChIKey of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
The InChIKey is RRRIVLBLVITCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-7-8-9-10-14-20(4)16(17-3)19-13-11-15(21)18-12-6-2/h5H,1,6-14H2,2-4H3,(H,17,19)(H,18,21).
What are the key properties of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 2.16, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 109483309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).