N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine

C31H56N2 — CID 6480611

IUPACN-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)CN1CCC(NC(C)CC/C=C(\C)CCC=C(C)C)C1
InChIInChI=1S/C31H56N2/c1-25(2)13-9-15-27(5)17-11-19-29(7)23-33-22-21-31(24-33)32-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,29-32H,9-12,15-16,19-24H2,1-8H3/b27-17+,28-18+
InChIKeyZOPAUTXSXSWZBO-XUIWWLCJSA-N
MW456.80 g/mol
LogP8.62
Rot. Bonds16

About N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine

N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine (PubChem CID 6480611) has the molecular formula C31H56N2 and a molecular weight of 456.80 g/mol. Its IUPAC name is N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine
PubChem CID6480611
Molecular FormulaC31H56N2
Molecular Weight456.80 g/mol
Exact Mass456.44
IUPAC NameN-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)CN1CCC(NC(C)CC/C=C(\C)CCC=C(C)C)C1
InChIInChI=1S/C31H56N2/c1-25(2)13-9-15-27(5)17-11-19-29(7)23-33-22-21-31(24-33)32-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,29-32H,9-12,15-16,19-24H2,1-8H3/b27-17+,28-18+
InChIKeyZOPAUTXSXSWZBO-XUIWWLCJSA-N
XLogP8.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.80
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine with MolForge

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Related Compounds

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(E)-3,7-dimethyl-1-pyrrolidin-1-ylhenicos-6-en-8-amine
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4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine
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CID 91370471
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CID 130374626
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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine (CID 6480611) is N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine is CC(C)=CCC/C(C)=C/CCC(C)CN1CCC(NC(C)CC/C=C(\C)CCC=C(C)C)C1.
What is the InChIKey of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine?
The InChIKey is ZOPAUTXSXSWZBO-XUIWWLCJSA-N. The full InChI is InChI=1S/C31H56N2/c1-25(2)13-9-15-27(5)17-11-19-29(7)23-33-22-21-31(24-33)32-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,29-32H,9-12,15-16,19-24H2,1-8H3/b27-17+,28-18+.
What are the key properties of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine?
N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine has a molecular weight of 456.80 g/mol, XLogP of 8.62, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-1-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]pyrrolidin-3-amine is sourced from PubChem (CID 6480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).