1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine

C17H21N — CID 10868380

IUPAC1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1c2cccc3cccc(c23)[C@]1(C)CN(C)C
InChIInChI=1S/C17H21N/c1-12-14-9-5-7-13-8-6-10-15(16(13)14)17(12,2)11-18(3)4/h5-10,12H,11H2,1-4H3/t12-,17-/m1/s1
InChIKeyDUBSSKWQSOVFRI-SJKOYZFVSA-N
MW239.36 g/mol
LogP3.78
Rot. Bonds2

About 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine

1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine (PubChem CID 10868380) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine
PubChem CID10868380
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1c2cccc3cccc(c23)[C@]1(C)CN(C)C
InChIInChI=1S/C17H21N/c1-12-14-9-5-7-13-8-6-10-15(16(13)14)17(12,2)11-18(3)4/h5-10,12H,11H2,1-4H3/t12-,17-/m1/s1
InChIKeyDUBSSKWQSOVFRI-SJKOYZFVSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-Naphthalen-2-ylethyl)pyrrolidine
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CID 9550007
Dimethyl-(3-naphthalen-2-yl-bicyclo[2.2.1]hept-2-ylmethyl)-amine
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CID 11011757

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine (CID 10868380) is 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine is C[C@@H]1c2cccc3cccc(c23)[C@]1(C)CN(C)C.
What is the InChIKey of 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine?
The InChIKey is DUBSSKWQSOVFRI-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H21N/c1-12-14-9-5-7-13-8-6-10-15(16(13)14)17(12,2)11-18(3)4/h5-10,12H,11H2,1-4H3/t12-,17-/m1/s1.
What are the key properties of 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine?
1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10868380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).