2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine

C19H29NO2 — CID 173296999

IUPAC2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine
SMILESCOC1=C(CCC2CCC(CCN)O2)C/C=C\C=C/CC=C1
InChIInChI=1S/C19H29NO2/c1-21-19-9-7-5-3-2-4-6-8-16(19)10-11-17-12-13-18(22-17)14-15-20/h2-4,6-7,9,17-18H,5,8,10-15,20H2,1H3/b3-2-,6-4-,9-7?,19-16?
InChIKeySMQZEEQEWZBLOK-BFASYLRBSA-N
MW303.45 g/mol
LogP4.03
Rot. Bonds6

About 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine

2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine (PubChem CID 173296999) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine
PubChem CID173296999
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine
SMILESCOC1=C(CCC2CCC(CCN)O2)C/C=C\C=C/CC=C1
InChIInChI=1S/C19H29NO2/c1-21-19-9-7-5-3-2-4-6-8-16(19)10-11-17-12-13-18(22-17)14-15-20/h2-4,6-7,9,17-18H,5,8,10-15,20H2,1H3/b3-2-,6-4-,9-7?,19-16?
InChIKeySMQZEEQEWZBLOK-BFASYLRBSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine (CID 173296999) is 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine is COC1=C(CCC2CCC(CCN)O2)C/C=C\C=C/CC=C1.
What is the InChIKey of 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine?
The InChIKey is SMQZEEQEWZBLOK-BFASYLRBSA-N. The full InChI is InChI=1S/C19H29NO2/c1-21-19-9-7-5-3-2-4-6-8-16(19)10-11-17-12-13-18(22-17)14-15-20/h2-4,6-7,9,17-18H,5,8,10-15,20H2,1H3/b3-2-,6-4-,9-7?,19-16?.
What are the key properties of 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine?
2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine has a molecular weight of 303.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine is sourced from PubChem (CID 173296999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).