3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine

C20H34N2 — CID 143207305

IUPAC3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine
SMILESCCCC(CC)C(N)CC1=CC=CCC=C1N1CCCCC1
InChIInChI=1S/C20H34N2/c1-3-11-17(4-2)19(21)16-18-12-7-5-8-13-20(18)22-14-9-6-10-15-22/h5,7,12-13,17,19H,3-4,6,8-11,14-16,21H2,1-2H3
InChIKeyZEYUETILIMLJEH-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.79
Rot. Bonds7

About 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine

3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine (PubChem CID 143207305) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine
PubChem CID143207305
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine
SMILESCCCC(CC)C(N)CC1=CC=CCC=C1N1CCCCC1
InChIInChI=1S/C20H34N2/c1-3-11-17(4-2)19(21)16-18-12-7-5-8-13-20(18)22-14-9-6-10-15-22/h5,7,12-13,17,19H,3-4,6,8-11,14-16,21H2,1-2H3
InChIKeyZEYUETILIMLJEH-UHFFFAOYSA-N
XLogP4.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
5-N-cyclopropyl-5-N-[(E)-2-[(E)-2-fluoro-3-methylidenepent-1-enyl]dec-2-enyl]-4-methylhex-5-ene-1,5-diamine
CID 126583214
1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
ethane;(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine
CID 166157663
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
1-[1-[(Z)-5-amino-2-butan-2-yl-5-methylhex-1-enyl]-5-[(1E)-buta-1,3-dienyl]-2-methyl-2H-pyridin-4-yl]-4-fluoropiperidin-4-amine
CID 167065991
3-[(Z)-but-2-en-2-yl]-2-[(2Z,4E,6Z)-6-fluoronona-2,4,6-trien-4-yl]-5,6-dimethylpiperidine
CID 169593065
3-ethenyl-2-[(Z)-3-fluoroprop-1-enyl]-4-methyl-7-[(1E,5Z,7Z)-3-methyl-6-(4-methylpiperidin-1-yl)cycloocta-1,5,7-trien-1-yl]-4,5-dihydro-1H-azepine
CID 144482206
N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine
CID 156641308
(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine
CID 166157664
1,6,7,8,9,9a,10,10a-Octahydropyrido[2,3-g]quinoline
CID 67926141

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine?
The IUPAC name of 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine (CID 143207305) is 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine.
What is the SMILES notation for 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine?
The canonical SMILES for 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine is CCCC(CC)C(N)CC1=CC=CCC=C1N1CCCCC1.
What is the InChIKey of 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine?
The InChIKey is ZEYUETILIMLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-3-11-17(4-2)19(21)16-18-12-7-5-8-13-20(18)22-14-9-6-10-15-22/h5,7,12-13,17,19H,3-4,6,8-11,14-16,21H2,1-2H3.
What are the key properties of 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine?
3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine has a molecular weight of 302.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(7-piperidin-1-ylcyclohepta-1,3,6-trien-1-yl)hexan-2-amine is sourced from PubChem (CID 143207305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).