(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine

C20H42N2 — CID 142584555

IUPAC(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine
SMILESCN.[H]/N=C/C(C)=C\CCCC(CCC)CCCCCC(C)C
InChIInChI=1S/C19H37N.CH5N/c1-5-11-19(14-8-6-7-12-17(2)3)15-10-9-13-18(4)16-20;1-2/h13,16-17,19-20H,5-12,14-15H2,1-4H3;2H2,1H3/b18-13-,20-16+;
InChIKeyNIVQPTYULDWUQS-AOLSGPEFSA-N
MW310.57 g/mol
LogP6.35
Rot. Bonds13

About (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine

(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine (PubChem CID 142584555) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine.

Molecular Properties

Compound Name(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine
PubChem CID142584555
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine
SMILESCN.[H]/N=C/C(C)=C\CCCC(CCC)CCCCCC(C)C
InChIInChI=1S/C19H37N.CH5N/c1-5-11-19(14-8-6-7-12-17(2)3)15-10-9-13-18(4)16-20;1-2/h13,16-17,19-20H,5-12,14-15H2,1-4H3;2H2,1H3/b18-13-,20-16+;
InChIKeyNIVQPTYULDWUQS-AOLSGPEFSA-N
XLogP6.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine?
The IUPAC name of (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine (CID 142584555) is (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine.
What is the SMILES notation for (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine?
The canonical SMILES for (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine is CN.[H]/N=C/C(C)=C\CCCC(CCC)CCCCCC(C)C.
What is the InChIKey of (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine?
The InChIKey is NIVQPTYULDWUQS-AOLSGPEFSA-N. The full InChI is InChI=1S/C19H37N.CH5N/c1-5-11-19(14-8-6-7-12-17(2)3)15-10-9-13-18(4)16-20;1-2/h13,16-17,19-20H,5-12,14-15H2,1-4H3;2H2,1H3/b18-13-,20-16+;.
What are the key properties of (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine?
(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine has a molecular weight of 310.57 g/mol, XLogP of 6.35, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine is sourced from PubChem (CID 142584555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).