N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide

C19H37IN4O — CID 109483298

IUPACN-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCC(=O)NC1CCCCC1.I
InChIInChI=1S/C19H36N4O.HI/c1-4-5-6-7-11-16-23(3)19(20-2)21-15-14-18(24)22-17-12-9-8-10-13-17;/h4,17H,1,5-16H2,2-3H3,(H,20,21)(H,22,24);1H
InChIKeyNYDVLNSZDWBBRS-UHFFFAOYSA-N
MW464.44 g/mol
LogP3.70
Rot. Bonds10

About N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide

N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide (PubChem CID 109483298) has the molecular formula C19H37IN4O and a molecular weight of 464.44 g/mol. Its IUPAC name is N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
PubChem CID109483298
Molecular FormulaC19H37IN4O
Molecular Weight464.44 g/mol
Exact Mass464.20
IUPAC NameN-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCC(=O)NC1CCCCC1.I
InChIInChI=1S/C19H36N4O.HI/c1-4-5-6-7-11-16-23(3)19(20-2)21-15-14-18(24)22-17-12-9-8-10-13-17;/h4,17H,1,5-16H2,2-3H3,(H,20,21)(H,22,24);1H
InChIKeyNYDVLNSZDWBBRS-UHFFFAOYSA-N
XLogP3.70
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 53.70
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109482893
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109482968
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 109482969
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109482970
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 109482971
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109482998
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide
CID 109482999
3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide
CID 109483048
3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
CID 109483049
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109483052
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109483053

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
The IUPAC name of N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide (CID 109483298) is N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCCC(=O)NC1CCCCC1.I.
What is the InChIKey of N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
The InChIKey is NYDVLNSZDWBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.HI/c1-4-5-6-7-11-16-23(3)19(20-2)21-15-14-18(24)22-17-12-9-8-10-13-17;/h4,17H,1,5-16H2,2-3H3,(H,20,21)(H,22,24);1H.
What are the key properties of N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide has a molecular weight of 464.44 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide is sourced from PubChem (CID 109483298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).