N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C28H41N — CID 13037714

IUPACN-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCCCCCCCCc1ccc(NC2CCCc3ccccc32)cc1
InChIInChI=1S/C28H41N/c1-2-3-4-5-6-7-8-9-10-11-15-24-20-22-26(23-21-24)29-28-19-14-17-25-16-12-13-18-27(25)28/h12-13,16,18,20-23,28-29H,2-11,14-15,17,19H2,1H3
InChIKeyUDHCKZLYXPDFOW-UHFFFAOYSA-N
MW391.64 g/mol
LogP8.64
Rot. Bonds13

About N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 13037714) has the molecular formula C28H41N and a molecular weight of 391.64 g/mol. Its IUPAC name is N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID13037714
Molecular FormulaC28H41N
Molecular Weight391.64 g/mol
Exact Mass391.32
IUPAC NameN-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCCCCCCCCc1ccc(NC2CCCc3ccccc32)cc1
InChIInChI=1S/C28H41N/c1-2-3-4-5-6-7-8-9-10-11-15-24-20-22-26(23-21-24)29-28-19-14-17-25-16-12-13-18-27(25)28/h12-13,16,18,20-23,28-29H,2-11,14-15,17,19H2,1H3
InChIKeyUDHCKZLYXPDFOW-UHFFFAOYSA-N
XLogP8.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 58.64
H-Bond Donors ≤ 51
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 N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 13037714) is N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCCCCCCCCc1ccc(NC2CCCc3ccccc32)cc1.
What is the InChIKey of N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UDHCKZLYXPDFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N/c1-2-3-4-5-6-7-8-9-10-11-15-24-20-22-26(23-21-24)29-28-19-14-17-25-16-12-13-18-27(25)28/h12-13,16,18,20-23,28-29H,2-11,14-15,17,19H2,1H3.
What are the key properties of N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 391.64 g/mol, XLogP of 8.64, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 13037714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).