N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine

C22H40N2O — CID 90970266

IUPACN-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine
SMILESC=CC=CC=C(C)C1(OC(C)(C)CC(C)N(C)CC)CCN(C)CC1
InChIInChI=1S/C22H40N2O/c1-9-11-12-13-19(3)22(14-16-23(7)17-15-22)25-21(5,6)18-20(4)24(8)10-2/h9,11-13,20H,1,10,14-18H2,2-8H3
InChIKeyIJHDGBIZVIPHOC-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.66
Rot. Bonds9

About N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine

N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine (PubChem CID 90970266) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine
PubChem CID90970266
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC NameN-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine
SMILESC=CC=CC=C(C)C1(OC(C)(C)CC(C)N(C)CC)CCN(C)CC1
InChIInChI=1S/C22H40N2O/c1-9-11-12-13-19(3)22(14-16-23(7)17-15-22)25-21(5,6)18-20(4)24(8)10-2/h9,11-13,20H,1,10,14-18H2,2-8H3
InChIKeyIJHDGBIZVIPHOC-UHFFFAOYSA-N
XLogP4.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220365
Ethane;8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
CID 142848892
ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
CID 142861523
2,3-Bis(ethenyl)-8-methyl-1-oxa-8-azaspiro[4.5]dec-2-ene;ethane
CID 143979471
ethane;3-ethenyl-8-methyl-2-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-2-ene
CID 144047464
Butane;4-(cyclohexa-1,5-dien-1-ylmethoxy)-1,4-dimethylpiperidine;prop-1-ene
CID 144279141
3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144539911
ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine
CID 144662795
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine
CID 156794924
3-ethenyl-8-methyl-2-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-2-ene
CID 144047465

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine (CID 90970266) is N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine is C=CC=CC=C(C)C1(OC(C)(C)CC(C)N(C)CC)CCN(C)CC1.
What is the InChIKey of N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine?
The InChIKey is IJHDGBIZVIPHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-9-11-12-13-19(3)22(14-16-23(7)17-15-22)25-21(5,6)18-20(4)24(8)10-2/h9,11-13,20H,1,10,14-18H2,2-8H3.
What are the key properties of N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine?
N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine has a molecular weight of 348.58 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 90970266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).