10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene

C19H35N — CID 123727677

IUPAC10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene
SMILESCCCC1C=CCCCC(C)/N=C\CC(C)C(CC)C1
InChIInChI=1S/C19H35N/c1-5-10-18-12-9-7-8-11-17(4)20-14-13-16(3)19(6-2)15-18/h9,12,14,16-19H,5-8,10-11,13,15H2,1-4H3/b12-9?,20-14-
InChIKeyPLBUICWWQGPUSC-CSQXJJNYSA-N
MW277.50 g/mol
LogP6.04
Rot. Bonds3

About 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene

10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene (PubChem CID 123727677) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene.

Molecular Properties

Compound Name10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene
PubChem CID123727677
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene
SMILESCCCC1C=CCCCC(C)/N=C\CC(C)C(CC)C1
InChIInChI=1S/C19H35N/c1-5-10-18-12-9-7-8-11-17(4)20-14-13-16(3)19(6-2)15-18/h9,12,14,16-19H,5-8,10-11,13,15H2,1-4H3/b12-9?,20-14-
InChIKeyPLBUICWWQGPUSC-CSQXJJNYSA-N
XLogP6.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4Z,8Z)-2-hexyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 20436108
(4Z,8Z)-11,11-diethyl-2-pentan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436120
(4Z,8Z)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436140
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
(4E,8E)-11,11-diethyl-2-pentan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811543
(4E,8E)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811544

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene?
The IUPAC name of 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene (CID 123727677) is 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene.
What is the SMILES notation for 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene?
The canonical SMILES for 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene is CCCC1C=CCCCC(C)/N=C\CC(C)C(CC)C1.
What is the InChIKey of 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene?
The InChIKey is PLBUICWWQGPUSC-CSQXJJNYSA-N. The full InChI is InChI=1S/C19H35N/c1-5-10-18-12-9-7-8-11-17(4)20-14-13-16(3)19(6-2)15-18/h9,12,14,16-19H,5-8,10-11,13,15H2,1-4H3/b12-9?,20-14-.
What are the key properties of 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene?
10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene has a molecular weight of 277.50 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene is sourced from PubChem (CID 123727677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).