(E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine

C24H44N2 — CID 146285727

IUPAC(E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine
SMILESCCC/C(NC)=C(/CCC)C1=C(C)CC(C)(C)N(CC2CCCCC2)C1
InChIInChI=1S/C24H44N2/c1-7-12-21(23(25-6)13-8-2)22-18-26(24(4,5)16-19(22)3)17-20-14-10-9-11-15-20/h20,25H,7-18H2,1-6H3/b23-21+
InChIKeyUOFAXBLLEQNCCJ-XTQSDGFTSA-N
MW360.63 g/mol
LogP6.44
Rot. Bonds8

About (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine

(E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine (PubChem CID 146285727) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine.

Molecular Properties

Compound Name(E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine
PubChem CID146285727
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name(E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine
SMILESCCC/C(NC)=C(/CCC)C1=C(C)CC(C)(C)N(CC2CCCCC2)C1
InChIInChI=1S/C24H44N2/c1-7-12-21(23(25-6)13-8-2)22-18-26(24(4,5)16-19(22)3)17-20-14-10-9-11-15-20/h20,25H,7-18H2,1-6H3/b23-21+
InChIKeyUOFAXBLLEQNCCJ-XTQSDGFTSA-N
XLogP6.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine?
The IUPAC name of (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine (CID 146285727) is (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine.
What is the SMILES notation for (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine?
The canonical SMILES for (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine is CCC/C(NC)=C(/CCC)C1=C(C)CC(C)(C)N(CC2CCCCC2)C1.
What is the InChIKey of (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine?
The InChIKey is UOFAXBLLEQNCCJ-XTQSDGFTSA-N. The full InChI is InChI=1S/C24H44N2/c1-7-12-21(23(25-6)13-8-2)22-18-26(24(4,5)16-19(22)3)17-20-14-10-9-11-15-20/h20,25H,7-18H2,1-6H3/b23-21+.
What are the key properties of (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine?
(E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine has a molecular weight of 360.63 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[1-(cyclohexylmethyl)-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-N-methyloct-4-en-4-amine is sourced from PubChem (CID 146285727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).