(5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine

C32H58N2 — CID 6480616

IUPAC(5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NCC1CCN(C(C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C32H58N2/c1-26(2)13-9-15-28(5)17-11-19-30(7)33-25-32-21-23-34(24-22-32)31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,30-33H,9-12,15-16,19-25H2,1-8H3/b28-17+,29-18+
InChIKeyJOBXODYMTAJPGS-POAOKBCDSA-N
MW470.83 g/mol
LogP9.01
Rot. Bonds16

About (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine

(5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine (PubChem CID 6480616) has the molecular formula C32H58N2 and a molecular weight of 470.83 g/mol. Its IUPAC name is (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine.

Molecular Properties

Compound Name(5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine
PubChem CID6480616
Molecular FormulaC32H58N2
Molecular Weight470.83 g/mol
Exact Mass470.46
IUPAC Name(5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NCC1CCN(C(C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C32H58N2/c1-26(2)13-9-15-28(5)17-11-19-30(7)33-25-32-21-23-34(24-22-32)31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,30-33H,9-12,15-16,19-25H2,1-8H3/b28-17+,29-18+
InChIKeyJOBXODYMTAJPGS-POAOKBCDSA-N
XLogP9.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine?
The IUPAC name of (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine (CID 6480616) is (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine.
What is the SMILES notation for (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine?
The canonical SMILES for (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine is CC(C)=CCC/C(C)=C/CCC(C)NCC1CCN(C(C)CC/C=C(\C)CCC=C(C)C)CC1.
What is the InChIKey of (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine?
The InChIKey is JOBXODYMTAJPGS-POAOKBCDSA-N. The full InChI is InChI=1S/C32H58N2/c1-26(2)13-9-15-28(5)17-11-19-30(7)33-25-32-21-23-34(24-22-32)31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,30-33H,9-12,15-16,19-25H2,1-8H3/b28-17+,29-18+.
What are the key properties of (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine?
(5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine has a molecular weight of 470.83 g/mol, XLogP of 9.01, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-[[1-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]piperidin-4-yl]methyl]-6,10-dimethylundeca-5,9-dien-2-amine is sourced from PubChem (CID 6480616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).