ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine

C25H45N — CID 143259800

IUPACethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\CCCC(C)CC1C=CC(CC(C)C2C=CCCN2)CC1.CC
InChIInChI=1S/C23H39N.C2H6/c1-4-5-6-7-10-19(2)17-21-12-14-22(15-13-21)18-20(3)23-11-8-9-16-24-23;1-2/h4-5,8,11-12,14,19-24H,6-7,9-10,13,15-18H2,1-3H3;1-2H3/b5-4-;
InChIKeyQIIWIMZOOGFQCE-MKWAYWHRSA-N
MW359.64 g/mol
LogP7.31
Rot. Bonds9

About ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine

ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 143259800) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine
PubChem CID143259800
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Nameethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\CCCC(C)CC1C=CC(CC(C)C2C=CCCN2)CC1.CC
InChIInChI=1S/C23H39N.C2H6/c1-4-5-6-7-10-19(2)17-21-12-14-22(15-13-21)18-20(3)23-11-8-9-16-24-23;1-2/h4-5,8,11-12,14,19-24H,6-7,9-10,13,15-18H2,1-3H3;1-2H3/b5-4-;
InChIKeyQIIWIMZOOGFQCE-MKWAYWHRSA-N
XLogP7.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine (CID 143259800) is ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine is C/C=C\CCCC(C)CC1C=CC(CC(C)C2C=CCCN2)CC1.CC.
What is the InChIKey of ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is QIIWIMZOOGFQCE-MKWAYWHRSA-N. The full InChI is InChI=1S/C23H39N.C2H6/c1-4-5-6-7-10-19(2)17-21-12-14-22(15-13-21)18-20(3)23-11-8-9-16-24-23;1-2/h4-5,8,11-12,14,19-24H,6-7,9-10,13,15-18H2,1-3H3;1-2H3/b5-4-;.
What are the key properties of ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine?
ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 359.64 g/mol, XLogP of 7.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143259800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).