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

C18H34N4O — CID 109482893

IUPACN-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
SMILESC=CCCCCCN(C)/C(=N\C)NCCC(=O)NC1CCCC1
InChIInChI=1S/C18H34N4O/c1-4-5-6-7-10-15-22(3)18(19-2)20-14-13-17(23)21-16-11-8-9-12-16/h4,16H,1,5-15H2,2-3H3,(H,19,20)(H,21,23)
InChIKeyOLZYPPGKNAGLFS-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.69
Rot. Bonds10

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

N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide (PubChem CID 109482893) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
PubChem CID109482893
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC NameN-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
SMILESC=CCCCCCN(C)/C(=N\C)NCCC(=O)NC1CCCC1
InChIInChI=1S/C18H34N4O/c1-4-5-6-7-10-15-22(3)18(19-2)20-14-13-17(23)21-16-11-8-9-12-16/h4,16H,1,5-15H2,2-3H3,(H,19,20)(H,21,23)
InChIKeyOLZYPPGKNAGLFS-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.69
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

N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
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-Ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 109483031
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-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide (CID 109482893) is N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide is C=CCCCCCN(C)/C(=N\C)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
The InChIKey is OLZYPPGKNAGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-4-5-6-7-10-15-22(3)18(19-2)20-14-13-17(23)21-16-11-8-9-12-16/h4,16H,1,5-15H2,2-3H3,(H,19,20)(H,21,23).
What are the key properties of N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide has a molecular weight of 322.50 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 109482893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).