N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H33N — CID 60669476

IUPACN-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCCCCCCNC1CCc2ccccc2C1
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-8-11-16-21-20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-13,20-21H,2-8,11,14-17H2,1H3
InChIKeyVOCVDYDVTPCISA-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.27
Rot. Bonds10

About N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 60669476) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID60669476
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCCCCCCNC1CCc2ccccc2C1
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-8-11-16-21-20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-13,20-21H,2-8,11,14-17H2,1H3
InChIKeyVOCVDYDVTPCISA-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.27
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-decyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 60669476) is N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCCCCCCCNC1CCc2ccccc2C1.
What is the InChIKey of N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VOCVDYDVTPCISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-3-4-5-6-7-8-11-16-21-20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-13,20-21H,2-8,11,14-17H2,1H3.
What are the key properties of N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 60669476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).