(E)-2-methyl-N-propyltetradec-11-en-2-amine

C18H37N — CID 19893541

IUPAC(E)-2-methyl-N-propyltetradec-11-en-2-amine
SMILESCC/C=C/CCCCCCCCC(C)(C)NCCC
InChIInChI=1S/C18H37N/c1-5-7-8-9-10-11-12-13-14-15-16-18(3,4)19-17-6-2/h7-8,19H,5-6,9-17H2,1-4H3/b8-7+
InChIKeyJMJGXDDUMZMIQH-BQYQJAHWSA-N
MW267.50 g/mol
LogP5.85
Rot. Bonds13

About (E)-2-methyl-N-propyltetradec-11-en-2-amine

(E)-2-methyl-N-propyltetradec-11-en-2-amine (PubChem CID 19893541) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is (E)-2-methyl-N-propyltetradec-11-en-2-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-propyltetradec-11-en-2-amine
PubChem CID19893541
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name(E)-2-methyl-N-propyltetradec-11-en-2-amine
SMILESCC/C=C/CCCCCCCCC(C)(C)NCCC
InChIInChI=1S/C18H37N/c1-5-7-8-9-10-11-12-13-14-15-16-18(3,4)19-17-6-2/h7-8,19H,5-6,9-17H2,1-4H3/b8-7+
InChIKeyJMJGXDDUMZMIQH-BQYQJAHWSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-2-methyl-N-propyltetradec-11-en-2-amine?
The IUPAC name of (E)-2-methyl-N-propyltetradec-11-en-2-amine (CID 19893541) is (E)-2-methyl-N-propyltetradec-11-en-2-amine.
What is the SMILES notation for (E)-2-methyl-N-propyltetradec-11-en-2-amine?
The canonical SMILES for (E)-2-methyl-N-propyltetradec-11-en-2-amine is CC/C=C/CCCCCCCCC(C)(C)NCCC.
What is the InChIKey of (E)-2-methyl-N-propyltetradec-11-en-2-amine?
The InChIKey is JMJGXDDUMZMIQH-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H37N/c1-5-7-8-9-10-11-12-13-14-15-16-18(3,4)19-17-6-2/h7-8,19H,5-6,9-17H2,1-4H3/b8-7+.
What are the key properties of (E)-2-methyl-N-propyltetradec-11-en-2-amine?
(E)-2-methyl-N-propyltetradec-11-en-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.85, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-propyltetradec-11-en-2-amine is sourced from PubChem (CID 19893541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).