16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine

C34H51N — CID 139723987

IUPAC16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine
SMILESCC(C)CCCCCCCCCCCCCCCN(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C34H51N/c1-32(2)22-16-12-10-8-6-4-3-5-7-9-11-13-21-29-35(30-27-33-23-17-14-18-24-33)31-28-34-25-19-15-20-26-34/h14-15,17-20,23-28,30-32H,3-13,16,21-22,29H2,1-2H3
InChIKeyLBUYMUUCIKRAOD-UHFFFAOYSA-N
MW473.79 g/mol
LogP10.75
Rot. Bonds20

About 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine

16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine (PubChem CID 139723987) has the molecular formula C34H51N and a molecular weight of 473.79 g/mol. Its IUPAC name is 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine.

Molecular Properties

Compound Name16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine
PubChem CID139723987
Molecular FormulaC34H51N
Molecular Weight473.79 g/mol
Exact Mass473.40
IUPAC Name16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine
SMILESCC(C)CCCCCCCCCCCCCCCN(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C34H51N/c1-32(2)22-16-12-10-8-6-4-3-5-7-9-11-13-21-29-35(30-27-33-23-17-14-18-24-33)31-28-34-25-19-15-20-26-34/h14-15,17-20,23-28,30-32H,3-13,16,21-22,29H2,1-2H3
InChIKeyLBUYMUUCIKRAOD-UHFFFAOYSA-N
XLogP10.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 510.75
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 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine?
The IUPAC name of 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine (CID 139723987) is 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine.
What is the SMILES notation for 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine?
The canonical SMILES for 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine is CC(C)CCCCCCCCCCCCCCCN(C=Cc1ccccc1)C=Cc1ccccc1.
What is the InChIKey of 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine?
The InChIKey is LBUYMUUCIKRAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N/c1-32(2)22-16-12-10-8-6-4-3-5-7-9-11-13-21-29-35(30-27-33-23-17-14-18-24-33)31-28-34-25-19-15-20-26-34/h14-15,17-20,23-28,30-32H,3-13,16,21-22,29H2,1-2H3.
What are the key properties of 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine?
16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine has a molecular weight of 473.79 g/mol, XLogP of 10.75, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine is sourced from PubChem (CID 139723987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).