5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine

C30H45N3 — CID 146228886

IUPAC5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine
SMILESC=CNCCCCCc1ccc(-c2ccc(CCC3CCN(CC(C)(C)C)CC3)cc2)nc1
InChIInChI=1S/C30H45N3/c1-5-31-20-8-6-7-9-27-14-17-29(32-23-27)28-15-12-25(13-16-28)10-11-26-18-21-33(22-19-26)24-30(2,3)4/h5,12-17,23,26,31H,1,6-11,18-22,24H2,2-4H3
InChIKeyBNGFEDMAVFDHLO-UHFFFAOYSA-N
MW447.71 g/mol
LogP6.89
Rot. Bonds12

About 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine

5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine (PubChem CID 146228886) has the molecular formula C30H45N3 and a molecular weight of 447.71 g/mol. Its IUPAC name is 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine.

Molecular Properties

Compound Name5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine
PubChem CID146228886
Molecular FormulaC30H45N3
Molecular Weight447.71 g/mol
Exact Mass447.36
IUPAC Name5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine
SMILESC=CNCCCCCc1ccc(-c2ccc(CCC3CCN(CC(C)(C)C)CC3)cc2)nc1
InChIInChI=1S/C30H45N3/c1-5-31-20-8-6-7-9-27-14-17-29(32-23-27)28-15-12-25(13-16-28)10-11-26-18-21-33(22-19-26)24-30(2,3)4/h5,12-17,23,26,31H,1,6-11,18-22,24H2,2-4H3
InChIKeyBNGFEDMAVFDHLO-UHFFFAOYSA-N
XLogP6.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.71
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine
CID 146228901
2-(4-prop-1-en-2-ylphenyl)-5-[2-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]ethyl]pyridine
CID 138673024
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine?
The IUPAC name of 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine (CID 146228886) is 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine.
What is the SMILES notation for 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine?
The canonical SMILES for 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine is C=CNCCCCCc1ccc(-c2ccc(CCC3CCN(CC(C)(C)C)CC3)cc2)nc1.
What is the InChIKey of 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine?
The InChIKey is BNGFEDMAVFDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3/c1-5-31-20-8-6-7-9-27-14-17-29(32-23-27)28-15-12-25(13-16-28)10-11-26-18-21-33(22-19-26)24-30(2,3)4/h5,12-17,23,26,31H,1,6-11,18-22,24H2,2-4H3.
What are the key properties of 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine?
5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine has a molecular weight of 447.71 g/mol, XLogP of 6.89, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine is sourced from PubChem (CID 146228886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).