ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine

C26H44N2 — CID 142855686

IUPACethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine
SMILESC=C.CC(CC1CCCC1C)NCCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C24H40N2.C2H4/c1-20-7-6-10-24(20)19-21(2)25-15-18-26-16-13-23(14-17-26)12-11-22-8-4-3-5-9-22;1-2/h3-5,8-9,20-21,23-25H,6-7,10-19H2,1-2H3;1-2H2
InChIKeyMJODJUKEXXRMSZ-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.94
Rot. Bonds9

About ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine

ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine (PubChem CID 142855686) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Nameethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine
PubChem CID142855686
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Nameethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine
SMILESC=C.CC(CC1CCCC1C)NCCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C24H40N2.C2H4/c1-20-7-6-10-24(20)19-21(2)25-15-18-26-16-13-23(14-17-26)12-11-22-8-4-3-5-9-22;1-2/h3-5,8-9,20-21,23-25H,6-7,10-19H2,1-2H3;1-2H2
InChIKeyMJODJUKEXXRMSZ-UHFFFAOYSA-N
XLogP5.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
2-hydroxy-2-phenyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]acetamide
CID 142855670
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
(E)-3-[hydroxy-[(Z)-2-[2-[4-(2-phenylethyl)piperidin-1-yl]ethylamino]ethenyl]amino]prop-2-enal
CID 142855550
3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine
CID 142855458
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570

Frequently Asked Questions

What is the IUPAC name of ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine?
The IUPAC name of ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine (CID 142855686) is ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine is C=C.CC(CC1CCCC1C)NCCN1CCC(CCc2ccccc2)CC1.
What is the InChIKey of ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine?
The InChIKey is MJODJUKEXXRMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2.C2H4/c1-20-7-6-10-24(20)19-21(2)25-15-18-26-16-13-23(14-17-26)12-11-22-8-4-3-5-9-22;1-2/h3-5,8-9,20-21,23-25H,6-7,10-19H2,1-2H3;1-2H2.
What are the key properties of ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine?
ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine has a molecular weight of 384.65 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(2-methylcyclopentyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 142855686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).