N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine

C31H35N — CID 70688981

IUPACN-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H35N/c1-3-5-23-32(24-6-4-2)31(28-17-9-7-10-18-28,29-19-11-8-12-20-29)30-22-21-26-15-13-14-16-27(26)25-30/h7-22,25H,3-6,23-24H2,1-2H3
InChIKeyADQBQRBJQQJWQE-UHFFFAOYSA-N
MW421.63 g/mol
LogP8.03
Rot. Bonds10

About N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine

N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine (PubChem CID 70688981) has the molecular formula C31H35N and a molecular weight of 421.63 g/mol. Its IUPAC name is N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine
PubChem CID70688981
Molecular FormulaC31H35N
Molecular Weight421.63 g/mol
Exact Mass421.28
IUPAC NameN-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H35N/c1-3-5-23-32(24-6-4-2)31(28-17-9-7-10-18-28,29-19-11-8-12-20-29)30-22-21-26-15-13-14-16-27(26)25-30/h7-22,25H,3-6,23-24H2,1-2H3
InChIKeyADQBQRBJQQJWQE-UHFFFAOYSA-N
XLogP8.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.63
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine (CID 70688981) is N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine is CCCCN(CCCC)C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine?
The InChIKey is ADQBQRBJQQJWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N/c1-3-5-23-32(24-6-4-2)31(28-17-9-7-10-18-28,29-19-11-8-12-20-29)30-22-21-26-15-13-14-16-27(26)25-30/h7-22,25H,3-6,23-24H2,1-2H3.
What are the key properties of N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine?
N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine has a molecular weight of 421.63 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[naphthalen-2-yl(diphenyl)methyl]butan-1-amine is sourced from PubChem (CID 70688981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).