3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine

C16H30N2O — CID 123983293

IUPAC3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine
SMILESCC=C(C=CC(C)OC)C(CNC)N1CCCCC1
InChIInChI=1S/C16H30N2O/c1-5-15(10-9-14(2)19-4)16(13-17-3)18-11-7-6-8-12-18/h5,9-10,14,16-17H,6-8,11-13H2,1-4H3
InChIKeyNAZKMAACKBZDPG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.60
Rot. Bonds7

About 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine

3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine (PubChem CID 123983293) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine.

Molecular Properties

Compound Name3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine
PubChem CID123983293
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine
SMILESCC=C(C=CC(C)OC)C(CNC)N1CCCCC1
InChIInChI=1S/C16H30N2O/c1-5-15(10-9-14(2)19-4)16(13-17-3)18-11-7-6-8-12-18/h5,9-10,14,16-17H,6-8,11-13H2,1-4H3
InChIKeyNAZKMAACKBZDPG-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-2-prop-1-en-2-yl-4-(2,2,2-trifluoro-1-methoxyethyl)hexa-2,4-dienyl]piperidin-3-amine
CID 59125455
(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 71085155
N',N'-diethyl-N-(2-ethyl-4a,6,10,11-tetrahydrobenzo[d][1]benzoxepin-11-yl)ethane-1,2-diamine
CID 54364988
4-(Cyclohexa-1,5-dien-1-ylmethyl)-2-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355004
2-[(4-Methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355047
1-[1-(2,3-Dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
CID 89293955
2-(5-Methoxycyclohexa-1,3-dien-1-yl)piperazine
CID 121458376
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-pyrrolidin-1-ylpropan-2-yl]hexan-1-amine
CID 129295856
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
CID 143615637
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine?
The IUPAC name of 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine (CID 123983293) is 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine.
What is the SMILES notation for 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine?
The canonical SMILES for 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine is CC=C(C=CC(C)OC)C(CNC)N1CCCCC1.
What is the InChIKey of 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine?
The InChIKey is NAZKMAACKBZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-15(10-9-14(2)19-4)16(13-17-3)18-11-7-6-8-12-18/h5,9-10,14,16-17H,6-8,11-13H2,1-4H3.
What are the key properties of 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine?
3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine is sourced from PubChem (CID 123983293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).