2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine

C38H69N — CID 139722796

IUPAC2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
SMILESCCCCCCCCCCCCC(C)(C)N(/C=C/c1ccccc1)C(C)(C)CCCCCCCCCCCC
InChIInChI=1S/C38H69N/c1-7-9-11-13-15-17-19-21-23-28-33-37(3,4)39(35-32-36-30-26-25-27-31-36)38(5,6)34-29-24-22-20-18-16-14-12-10-8-2/h25-27,30-32,35H,7-24,28-29,33-34H2,1-6H3/b35-32+
InChIKeyMEDOHGWNCWHXSJ-LVYIWIAJSA-N
MW539.98 g/mol
LogP13.14
Rot. Bonds26

About 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine

2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine (PubChem CID 139722796) has the molecular formula C38H69N and a molecular weight of 539.98 g/mol. Its IUPAC name is 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
PubChem CID139722796
Molecular FormulaC38H69N
Molecular Weight539.98 g/mol
Exact Mass539.54
IUPAC Name2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
SMILESCCCCCCCCCCCCC(C)(C)N(/C=C/c1ccccc1)C(C)(C)CCCCCCCCCCCC
InChIInChI=1S/C38H69N/c1-7-9-11-13-15-17-19-21-23-28-33-37(3,4)39(35-32-36-30-26-25-27-31-36)38(5,6)34-29-24-22-20-18-16-14-12-10-8-2/h25-27,30-32,35H,7-24,28-29,33-34H2,1-6H3/b35-32+
InChIKeyMEDOHGWNCWHXSJ-LVYIWIAJSA-N
XLogP13.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.98
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine?
The IUPAC name of 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine (CID 139722796) is 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine is CCCCCCCCCCCCC(C)(C)N(/C=C/c1ccccc1)C(C)(C)CCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine?
The InChIKey is MEDOHGWNCWHXSJ-LVYIWIAJSA-N. The full InChI is InChI=1S/C38H69N/c1-7-9-11-13-15-17-19-21-23-28-33-37(3,4)39(35-32-36-30-26-25-27-31-36)38(5,6)34-29-24-22-20-18-16-14-12-10-8-2/h25-27,30-32,35H,7-24,28-29,33-34H2,1-6H3/b35-32+.
What are the key properties of 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine?
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine has a molecular weight of 539.98 g/mol, XLogP of 13.14, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine is sourced from PubChem (CID 139722796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).