N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine

C24H41N — CID 126632850

IUPACN-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine
SMILESC=N/C=C(/C)C(C)C/C=C(/C(C)CC)C(C)C1CCCC2(CC1)CC2
InChIInChI=1S/C24H41N/c1-7-18(2)23(11-10-19(3)20(4)17-25-6)21(5)22-9-8-13-24(14-12-22)15-16-24/h11,17-19,21-22H,6-10,12-16H2,1-5H3/b20-17-,23-11-
InChIKeyLICHJKAUNXZGRA-CZBSDBFVSA-N
MW343.60 g/mol
LogP7.59
Rot. Bonds8

About N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine

N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine (PubChem CID 126632850) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine
PubChem CID126632850
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC NameN-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine
SMILESC=N/C=C(/C)C(C)C/C=C(/C(C)CC)C(C)C1CCCC2(CC1)CC2
InChIInChI=1S/C24H41N/c1-7-18(2)23(11-10-19(3)20(4)17-25-6)21(5)22-9-8-13-24(14-12-22)15-16-24/h11,17-19,21-22H,6-10,12-16H2,1-5H3/b20-17-,23-11-
InChIKeyLICHJKAUNXZGRA-CZBSDBFVSA-N
XLogP7.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine?
The IUPAC name of N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine (CID 126632850) is N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine?
The canonical SMILES for N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine is C=N/C=C(/C)C(C)C/C=C(/C(C)CC)C(C)C1CCCC2(CC1)CC2.
What is the InChIKey of N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine?
The InChIKey is LICHJKAUNXZGRA-CZBSDBFVSA-N. The full InChI is InChI=1S/C24H41N/c1-7-18(2)23(11-10-19(3)20(4)17-25-6)21(5)22-9-8-13-24(14-12-22)15-16-24/h11,17-19,21-22H,6-10,12-16H2,1-5H3/b20-17-,23-11-.
What are the key properties of N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine?
N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine has a molecular weight of 343.60 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,5Z)-2,3,7-trimethyl-6-(1-spiro[2.6]nonan-7-ylethyl)nona-1,5-dienyl]methanimine is sourced from PubChem (CID 126632850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).