N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine

C16H23N — CID 130215419

IUPACN-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine
SMILESC=CNCCCCCc1c#cc(CC)c(C)c1
InChIInChI=1S/C16H23N/c1-4-16-11-10-15(13-14(16)3)9-7-6-8-12-17-5-2/h5,13,17H,2,4,6-9,12H2,1,3H3
InChIKeyJYGORRTYEPIRDT-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.60
Rot. Bonds8

About N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine

N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine (PubChem CID 130215419) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine
PubChem CID130215419
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine
SMILESC=CNCCCCCc1c#cc(CC)c(C)c1
InChIInChI=1S/C16H23N/c1-4-16-11-10-15(13-14(16)3)9-7-6-8-12-17-5-2/h5,13,17H,2,4,6-9,12H2,1,3H3
InChIKeyJYGORRTYEPIRDT-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87131661
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CID 145124117
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CID 146284054
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202
N-[(5-butylsulfanyl-2-methylphenyl)methyl]ethenamine
CID 129257237
4-benzyl-N-ethenyl-4-(triethoxymethyl)dodecan-1-amine
CID 151377816
4-(ethenylamino)butyl 6-(2,2-dimethylpropanoyloxy)-4-methyl-1H-indole-3-carboxylate
CID 129236224
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine
CID 65305563
1-(3-butyl-4-methylphenyl)-N-methylethenamine;ethane;5-ethenyl-1,2,3-trimethylbenzene;fluoroethane
CID 145169082
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine?
The IUPAC name of N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine (CID 130215419) is N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine.
What is the SMILES notation for N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine?
The canonical SMILES for N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine is C=CNCCCCCc1c#cc(CC)c(C)c1.
What is the InChIKey of N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine?
The InChIKey is JYGORRTYEPIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-16-11-10-15(13-14(16)3)9-7-6-8-12-17-5-2/h5,13,17H,2,4,6-9,12H2,1,3H3.
What are the key properties of N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine?
N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-(4-ethyl-3-methylcyclohexa-1,3-dien-5-yn-1-yl)pentan-1-amine is sourced from PubChem (CID 130215419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).