N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine

C17H30N2 — CID 123994299

IUPACN-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
SMILESCCC1=CCC(N2CCCCC2)C(CNC(C)C)=C1
InChIInChI=1S/C17H30N2/c1-4-15-8-9-17(19-10-6-5-7-11-19)16(12-15)13-18-14(2)3/h8,12,14,17-18H,4-7,9-11,13H2,1-3H3
InChIKeyAOJDPDKDTGHHJC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine

N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine (PubChem CID 123994299) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
PubChem CID123994299
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
SMILESCCC1=CCC(N2CCCCC2)C(CNC(C)C)=C1
InChIInChI=1S/C17H30N2/c1-4-15-8-9-17(19-10-6-5-7-11-19)16(12-15)13-18-14(2)3/h8,12,14,17-18H,4-7,9-11,13H2,1-3H3
InChIKeyAOJDPDKDTGHHJC-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
CID 143280108
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine (CID 123994299) is N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine is CCC1=CCC(N2CCCCC2)C(CNC(C)C)=C1.
What is the InChIKey of N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
The InChIKey is AOJDPDKDTGHHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-15-8-9-17(19-10-6-5-7-11-19)16(12-15)13-18-14(2)3/h8,12,14,17-18H,4-7,9-11,13H2,1-3H3.
What are the key properties of N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine?
N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 123994299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).