(Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine

C29H59NO — CID 170567409

IUPAC(Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine
SMILESCCCCCCCCCC(CCC)C(CC)OC/C=C\CCCCCN(C)CCCC
InChIInChI=1S/C29H59NO/c1-6-10-12-13-14-17-20-24-28(23-8-3)29(9-4)31-27-22-19-16-15-18-21-26-30(5)25-11-7-2/h19,22,28-29H,6-18,20-21,23-27H2,1-5H3/b22-19-
InChIKeyUJCCRGGUUUXFCZ-QOCHGBHMSA-N
MW437.80 g/mol
LogP9.19
Rot. Bonds24

About (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine

(Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine (PubChem CID 170567409) has the molecular formula C29H59NO and a molecular weight of 437.80 g/mol. Its IUPAC name is (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine.

Molecular Properties

Compound Name(Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine
PubChem CID170567409
Molecular FormulaC29H59NO
Molecular Weight437.80 g/mol
Exact Mass437.46
IUPAC Name(Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine
SMILESCCCCCCCCCC(CCC)C(CC)OC/C=C\CCCCCN(C)CCCC
InChIInChI=1S/C29H59NO/c1-6-10-12-13-14-17-20-24-28(23-8-3)29(9-4)31-27-22-19-16-15-18-21-26-30(5)25-11-7-2/h19,22,28-29H,6-18,20-21,23-27H2,1-5H3/b22-19-
InChIKeyUJCCRGGUUUXFCZ-QOCHGBHMSA-N
XLogP9.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine?
The IUPAC name of (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine (CID 170567409) is (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine.
What is the SMILES notation for (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine?
The canonical SMILES for (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine is CCCCCCCCCC(CCC)C(CC)OC/C=C\CCCCCN(C)CCCC.
What is the InChIKey of (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine?
The InChIKey is UJCCRGGUUUXFCZ-QOCHGBHMSA-N. The full InChI is InChI=1S/C29H59NO/c1-6-10-12-13-14-17-20-24-28(23-8-3)29(9-4)31-27-22-19-16-15-18-21-26-30(5)25-11-7-2/h19,22,28-29H,6-18,20-21,23-27H2,1-5H3/b22-19-.
What are the key properties of (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine?
(Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine has a molecular weight of 437.80 g/mol, XLogP of 9.19, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-N-methyl-8-(4-propyltridecan-3-yloxy)oct-6-en-1-amine is sourced from PubChem (CID 170567409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).