(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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Related Compounds

(4E,8E)-11-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-5-yl)-N-isohexyl-N,4,9-trimethyl-undeca-4,8-dien-1-amine
CID 6482029
N,N-dimethyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]dodecan-1-amine
CID 56948529
N,N,4-trimethyl-6,7-bis[(9Z,12Z)-octadeca-9,12-dienoxy]heptan-1-amine
CID 58385513
N,N-dimethyl-3-(octadeca-9,12-dienoxymethyl)dodecan-1-amine
CID 76471245
N,N,4-trimethyl-6,7-bis(octadeca-9,12-dienoxy)heptan-1-amine
CID 76772991
4-(12-dec-4-enyldocosa-6,16-dien-11-yloxy)-N,N-dimethylbutan-1-amine
CID 78156814
5-(12-dec-4-enyldocosa-6,16-dien-11-yloxy)-N,N-dimethylpentan-1-amine
CID 78156816
N,N-dimethyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]undecan-1-amine
CID 87173676
(Z)-3-[(9Z,12Z)-2-[1-(diethylamino)ethyl]octadeca-9,12-dienoxy]-N,N-diethylicos-11-en-1-amine;ethoxyethane
CID 87879456
(13Z,16Z)-N,N-dimethyl-2-[(Z)-9-methylheptadec-11-enoxy]docosa-13,16-dien-1-amine
CID 88968325
4-(((6Z,16Z)-12-((Z)-dec-4-en-1-yl)docosa-6,16-dien-11-yl)oxy)-N,N-dimethylbutan-1-amine
CID 89775025
5-[(6Z,16Z)-12-[(Z)-dec-4-enyl]docosa-6,16-dien-11-yl]oxy-N,N-dimethylpentan-1-amine
CID 89775029

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).