N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine

C29H42N2 — CID 146228901

IUPACN-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine
SMILESC=C(NCCC)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)C)CC3)cc2)cc1
InChIInChI=1S/C29H42N2/c1-6-19-30-23(2)26-13-15-28(16-14-26)27-11-9-24(10-12-27)7-8-25-17-20-31(21-18-25)22-29(3,4)5/h9-16,25,30H,2,6-8,17-22H2,1,3-5H3
InChIKeyHGSKFSDMGGCASS-UHFFFAOYSA-N
MW418.67 g/mol
LogP7.01
Rot. Bonds9

About N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine

N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine (PubChem CID 146228901) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine
PubChem CID146228901
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC NameN-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine
SMILESC=C(NCCC)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)C)CC3)cc2)cc1
InChIInChI=1S/C29H42N2/c1-6-19-30-23(2)26-13-15-28(16-14-26)27-11-9-24(10-12-27)7-8-25-17-20-31(21-18-25)22-29(3,4)5/h9-16,25,30H,2,6-8,17-22H2,1,3-5H3
InChIKeyHGSKFSDMGGCASS-UHFFFAOYSA-N
XLogP7.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine with MolForge

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Related Compounds

5-[6-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]-3-pyridinyl]-N-ethenylpentan-1-amine
CID 146228886
[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 146229020
5-[2-[1-(2-ethyl-2-methylbutyl)piperidin-4-yl]ethyl]-2-[4-[1-[(2S)-2-methylpiperidin-1-yl]ethenyl]phenyl]benzonitrile
CID 146229120
N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 123252184
N-[[1-[(4-prop-1-en-2-ylphenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 178118415
tert-butyl 4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxylate
CID 173155736
2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
CID 131963012
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
CID 55478417
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348275
1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704
N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
CID 21361632

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine?
The IUPAC name of N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine (CID 146228901) is N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine?
The canonical SMILES for N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine is C=C(NCCC)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)C)CC3)cc2)cc1.
What is the InChIKey of N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine?
The InChIKey is HGSKFSDMGGCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2/c1-6-19-30-23(2)26-13-15-28(16-14-26)27-11-9-24(10-12-27)7-8-25-17-20-31(21-18-25)22-29(3,4)5/h9-16,25,30H,2,6-8,17-22H2,1,3-5H3.
What are the key properties of N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine?
N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine has a molecular weight of 418.67 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]ethenyl]propan-1-amine is sourced from PubChem (CID 146228901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).