2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine

C29H51N — CID 139723503

IUPAC2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
SMILESCCCCCCCC(C)(C)N(C/C=C/c1ccccc1)C(C)(C)CCCCCCC
InChIInChI=1S/C29H51N/c1-7-9-11-13-18-24-28(3,4)30(26-20-23-27-21-16-15-17-22-27)29(5,6)25-19-14-12-10-8-2/h15-17,20-23H,7-14,18-19,24-26H2,1-6H3/b23-20+
InChIKeyOJBIREYPFUEUFH-BSYVCWPDSA-N
MW413.73 g/mol
LogP9.28
Rot. Bonds17

About 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine

2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine (PubChem CID 139723503) has the molecular formula C29H51N and a molecular weight of 413.73 g/mol. Its IUPAC name is 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
PubChem CID139723503
Molecular FormulaC29H51N
Molecular Weight413.73 g/mol
Exact Mass413.40
IUPAC Name2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
SMILESCCCCCCCC(C)(C)N(C/C=C/c1ccccc1)C(C)(C)CCCCCCC
InChIInChI=1S/C29H51N/c1-7-9-11-13-18-24-28(3,4)30(26-20-23-27-21-16-15-17-22-27)29(5,6)25-19-14-12-10-8-2/h15-17,20-23H,7-14,18-19,24-26H2,1-6H3/b23-20+
InChIKeyOJBIREYPFUEUFH-BSYVCWPDSA-N
XLogP9.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 59.28
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-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine (CID 139723503) is 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine is CCCCCCCC(C)(C)N(C/C=C/c1ccccc1)C(C)(C)CCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine?
The InChIKey is OJBIREYPFUEUFH-BSYVCWPDSA-N. The full InChI is InChI=1S/C29H51N/c1-7-9-11-13-18-24-28(3,4)30(26-20-23-27-21-16-15-17-22-27)29(5,6)25-19-14-12-10-8-2/h15-17,20-23H,7-14,18-19,24-26H2,1-6H3/b23-20+.
What are the key properties of 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine?
2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine has a molecular weight of 413.73 g/mol, XLogP of 9.28, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine is sourced from PubChem (CID 139723503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).