2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine

C31H45N — CID 139722692

IUPAC2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
SMILESCCCCCCCCCCCCC(C)(C)N(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C31H45N/c1-4-5-6-7-8-9-10-11-12-19-26-31(2,3)32(27-24-29-20-15-13-16-21-29)28-25-30-22-17-14-18-23-30/h13-18,20-25,27-28H,4-12,19,26H2,1-3H3/b27-24+,28-25+
InChIKeyREAMJYVCVGLOGW-KNCIMYNLSA-N
MW431.71 g/mol
LogP9.72
Rot. Bonds16

About 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine

2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine (PubChem CID 139722692) has the molecular formula C31H45N and a molecular weight of 431.71 g/mol. Its IUPAC name is 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine.

Molecular Properties

Compound Name2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
PubChem CID139722692
Molecular FormulaC31H45N
Molecular Weight431.71 g/mol
Exact Mass431.36
IUPAC Name2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
SMILESCCCCCCCCCCCCC(C)(C)N(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C31H45N/c1-4-5-6-7-8-9-10-11-12-19-26-31(2,3)32(27-24-29-20-15-13-16-21-29)28-25-30-22-17-14-18-23-30/h13-18,20-25,27-28H,4-12,19,26H2,1-3H3/b27-24+,28-25+
InChIKeyREAMJYVCVGLOGW-KNCIMYNLSA-N
XLogP9.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 59.72
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,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine?
The IUPAC name of 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine (CID 139722692) is 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine.
What is the SMILES notation for 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine?
The canonical SMILES for 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine is CCCCCCCCCCCCC(C)(C)N(/C=C/c1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine?
The InChIKey is REAMJYVCVGLOGW-KNCIMYNLSA-N. The full InChI is InChI=1S/C31H45N/c1-4-5-6-7-8-9-10-11-12-19-26-31(2,3)32(27-24-29-20-15-13-16-21-29)28-25-30-22-17-14-18-23-30/h13-18,20-25,27-28H,4-12,19,26H2,1-3H3/b27-24+,28-25+.
What are the key properties of 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine?
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine has a molecular weight of 431.71 g/mol, XLogP of 9.72, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine is sourced from PubChem (CID 139722692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).