8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane

C17H27N — CID 142087327

IUPAC8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane
SMILESCC.CC(C)C1=CCC(C)(C)c2cc(N)ccc21
InChIInChI=1S/C15H21N.C2H6/c1-10(2)12-7-8-15(3,4)14-9-11(16)5-6-13(12)14;1-2/h5-7,9-10H,8,16H2,1-4H3;1-2H3
InChIKeyBPVZXAQUSZGIEM-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.02
Rot. Bonds1

About 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane

8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane (PubChem CID 142087327) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane.

Molecular Properties

Compound Name8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane
PubChem CID142087327
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane
SMILESCC.CC(C)C1=CCC(C)(C)c2cc(N)ccc21
InChIInChI=1S/C15H21N.C2H6/c1-10(2)12-7-8-15(3,4)14-9-11(16)5-6-13(12)14;1-2/h5-7,9-10H,8,16H2,1-4H3;1-2H3
InChIKeyBPVZXAQUSZGIEM-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane?
The IUPAC name of 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane (CID 142087327) is 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane.
What is the SMILES notation for 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane?
The canonical SMILES for 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane is CC.CC(C)C1=CCC(C)(C)c2cc(N)ccc21.
What is the InChIKey of 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane?
The InChIKey is BPVZXAQUSZGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C2H6/c1-10(2)12-7-8-15(3,4)14-9-11(16)5-6-13(12)14;1-2/h5-7,9-10H,8,16H2,1-4H3;1-2H3.
What are the key properties of 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane?
8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane has a molecular weight of 245.41 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-amine;ethane is sourced from PubChem (CID 142087327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).