(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine

C19H27N — CID 138630908

IUPAC(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine
SMILESC=CCC(=C=C(C)/C1=N/C/C=C\CCCC1C)/C=C\C
InChIInChI=1S/C19H27N/c1-5-11-18(12-6-2)15-17(4)19-16(3)13-9-7-8-10-14-20-19/h5-6,8,10,12,16H,1,7,9,11,13-14H2,2-4H3/b10-8-,12-6-,20-19+
InChIKeyFRWQHWOUANXRPL-ATWZFGHCSA-N
MW269.43 g/mol
LogP5.43
Rot. Bonds4

About (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine

(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine (PubChem CID 138630908) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine.

Molecular Properties

Compound Name(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine
PubChem CID138630908
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine
SMILESC=CCC(=C=C(C)/C1=N/C/C=C\CCCC1C)/C=C\C
InChIInChI=1S/C19H27N/c1-5-11-18(12-6-2)15-17(4)19-16(3)13-9-7-8-10-14-20-19/h5-6,8,10,12,16H,1,7,9,11,13-14H2,2-4H3/b10-8-,12-6-,20-19+
InChIKeyFRWQHWOUANXRPL-ATWZFGHCSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine?
The IUPAC name of (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine (CID 138630908) is (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine.
What is the SMILES notation for (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine?
The canonical SMILES for (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine is C=CCC(=C=C(C)/C1=N/C/C=C\CCCC1C)/C=C\C.
What is the InChIKey of (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine?
The InChIKey is FRWQHWOUANXRPL-ATWZFGHCSA-N. The full InChI is InChI=1S/C19H27N/c1-5-11-18(12-6-2)15-17(4)19-16(3)13-9-7-8-10-14-20-19/h5-6,8,10,12,16H,1,7,9,11,13-14H2,2-4H3/b10-8-,12-6-,20-19+.
What are the key properties of (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine?
(3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine has a molecular weight of 269.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-8-methyl-9-[(5Z)-4-prop-2-enylhepta-2,3,5-trien-2-yl]-5,6,7,8-tetrahydro-2H-azonine is sourced from PubChem (CID 138630908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).