N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine

C23H45NO — CID 88890815

IUPACN-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine
SMILESCCC(C)C/C=C\C/C=C\CCCCCCCCCOCCCNC
InChIInChI=1S/C23H45NO/c1-4-23(2)19-16-14-12-10-8-6-5-7-9-11-13-15-17-21-25-22-18-20-24-3/h8,10,14,16,23-24H,4-7,9,11-13,15,17-22H2,1-3H3/b10-8-,16-14-
InChIKeyZIUUOXSVUKVIQQ-UDJAPEQQSA-N
MW351.62 g/mol
LogP6.67
Rot. Bonds19

About N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine

N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine (PubChem CID 88890815) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine
PubChem CID88890815
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC NameN-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine
SMILESCCC(C)C/C=C\C/C=C\CCCCCCCCCOCCCNC
InChIInChI=1S/C23H45NO/c1-4-23(2)19-16-14-12-10-8-6-5-7-9-11-13-15-17-21-25-22-18-20-24-3/h8,10,14,16,23-24H,4-7,9,11-13,15,17-22H2,1-3H3/b10-8-,16-14-
InChIKeyZIUUOXSVUKVIQQ-UDJAPEQQSA-N
XLogP6.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.67
H-Bond Donors ≤ 51
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 N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine?
The IUPAC name of N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine (CID 88890815) is N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine.
What is the SMILES notation for N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine?
The canonical SMILES for N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine is CCC(C)C/C=C\C/C=C\CCCCCCCCCOCCCNC.
What is the InChIKey of N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine?
The InChIKey is ZIUUOXSVUKVIQQ-UDJAPEQQSA-N. The full InChI is InChI=1S/C23H45NO/c1-4-23(2)19-16-14-12-10-8-6-5-7-9-11-13-15-17-21-25-22-18-20-24-3/h8,10,14,16,23-24H,4-7,9,11-13,15,17-22H2,1-3H3/b10-8-,16-14-.
What are the key properties of N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine?
N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine has a molecular weight of 351.62 g/mol, XLogP of 6.67, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine is sourced from PubChem (CID 88890815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).