N-spiro[3.5]nonan-3-ylnaphthalen-1-amine

C19H23N — CID 102951157

IUPACN-spiro[3.5]nonan-3-ylnaphthalen-1-amine
SMILESc1ccc2c(NC3CCC34CCCCC4)cccc2c1
InChIInChI=1S/C19H23N/c1-4-12-19(13-5-1)14-11-18(19)20-17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2
InChIKeyKZDYAGMEBVCPHU-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.36
Rot. Bonds2

About N-spiro[3.5]nonan-3-ylnaphthalen-1-amine

N-spiro[3.5]nonan-3-ylnaphthalen-1-amine (PubChem CID 102951157) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-spiro[3.5]nonan-3-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-spiro[3.5]nonan-3-ylnaphthalen-1-amine
PubChem CID102951157
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-spiro[3.5]nonan-3-ylnaphthalen-1-amine
SMILESc1ccc2c(NC3CCC34CCCCC4)cccc2c1
InChIInChI=1S/C19H23N/c1-4-12-19(13-5-1)14-11-18(19)20-17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2
InChIKeyKZDYAGMEBVCPHU-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-spiro[3.5]nonan-3-ylnaphthalen-1-amine?
The IUPAC name of N-spiro[3.5]nonan-3-ylnaphthalen-1-amine (CID 102951157) is N-spiro[3.5]nonan-3-ylnaphthalen-1-amine.
What is the SMILES notation for N-spiro[3.5]nonan-3-ylnaphthalen-1-amine?
The canonical SMILES for N-spiro[3.5]nonan-3-ylnaphthalen-1-amine is c1ccc2c(NC3CCC34CCCCC4)cccc2c1.
What is the InChIKey of N-spiro[3.5]nonan-3-ylnaphthalen-1-amine?
The InChIKey is KZDYAGMEBVCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-4-12-19(13-5-1)14-11-18(19)20-17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2.
What are the key properties of N-spiro[3.5]nonan-3-ylnaphthalen-1-amine?
N-spiro[3.5]nonan-3-ylnaphthalen-1-amine has a molecular weight of 265.40 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3.5]nonan-3-ylnaphthalen-1-amine is sourced from PubChem (CID 102951157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).