(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine

C30H59N — CID 88991446

IUPAC(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine
SMILESCCCCCCC/C(N/C(=C/CCC(CCCC)CC(C)CC)CC)=C(\C)CCCC
InChIInChI=1S/C30H59N/c1-8-13-16-17-18-24-30(27(7)20-14-9-2)31-29(12-5)23-19-22-28(21-15-10-3)25-26(6)11-4/h23,26,28,31H,8-22,24-25H2,1-7H3/b29-23+,30-27-
InChIKeyUHQRXWOCMVSUCG-GIUKJIFMSA-N
MW433.81 g/mol
LogP10.72
Rot. Bonds21

About (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine

(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine (PubChem CID 88991446) has the molecular formula C30H59N and a molecular weight of 433.81 g/mol. Its IUPAC name is (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine.

Molecular Properties

Compound Name(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine
PubChem CID88991446
Molecular FormulaC30H59N
Molecular Weight433.81 g/mol
Exact Mass433.46
IUPAC Name(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine
SMILESCCCCCCC/C(N/C(=C/CCC(CCCC)CC(C)CC)CC)=C(\C)CCCC
InChIInChI=1S/C30H59N/c1-8-13-16-17-18-24-30(27(7)20-14-9-2)31-29(12-5)23-19-22-28(21-15-10-3)25-26(6)11-4/h23,26,28,31H,8-22,24-25H2,1-7H3/b29-23+,30-27-
InChIKeyUHQRXWOCMVSUCG-GIUKJIFMSA-N
XLogP10.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine?
The IUPAC name of (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine (CID 88991446) is (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine.
What is the SMILES notation for (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine?
The canonical SMILES for (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine is CCCCCCC/C(N/C(=C/CCC(CCCC)CC(C)CC)CC)=C(\C)CCCC.
What is the InChIKey of (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine?
The InChIKey is UHQRXWOCMVSUCG-GIUKJIFMSA-N. The full InChI is InChI=1S/C30H59N/c1-8-13-16-17-18-24-30(27(7)20-14-9-2)31-29(12-5)23-19-22-28(21-15-10-3)25-26(6)11-4/h23,26,28,31H,8-22,24-25H2,1-7H3/b29-23+,30-27-.
What are the key properties of (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine?
(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine has a molecular weight of 433.81 g/mol, XLogP of 10.72, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine is sourced from PubChem (CID 88991446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).