6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine

C17H23N — CID 165158120

IUPAC6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine
SMILESCC(C)Cc1ccc2cc(NC(C)C)ccc2c1
InChIInChI=1S/C17H23N/c1-12(2)9-14-5-6-16-11-17(18-13(3)4)8-7-15(16)10-14/h5-8,10-13,18H,9H2,1-4H3
InChIKeyBHYGWSBLPAOZIF-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.86
Rot. Bonds4

About 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine

6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine (PubChem CID 165158120) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine
PubChem CID165158120
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine
SMILESCC(C)Cc1ccc2cc(NC(C)C)ccc2c1
InChIInChI=1S/C17H23N/c1-12(2)9-14-5-6-16-11-17(18-13(3)4)8-7-15(16)10-14/h5-8,10-13,18H,9H2,1-4H3
InChIKeyBHYGWSBLPAOZIF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine?
The IUPAC name of 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine (CID 165158120) is 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine is CC(C)Cc1ccc2cc(NC(C)C)ccc2c1.
What is the InChIKey of 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine?
The InChIKey is BHYGWSBLPAOZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12(2)9-14-5-6-16-11-17(18-13(3)4)8-7-15(16)10-14/h5-8,10-13,18H,9H2,1-4H3.
What are the key properties of 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine?
6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine has a molecular weight of 241.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 165158120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).