3-tert-butyl-N,N-dimethylnaphthalen-1-amine

C16H21N — CID 170263067

IUPAC3-tert-butyl-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cc(C(C)(C)C)cc2ccccc12
InChIInChI=1S/C16H21N/c1-16(2,3)13-10-12-8-6-7-9-14(12)15(11-13)17(4)5/h6-11H,1-5H3
InChIKeyIBFBDNMUHJEXRG-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.20
Rot. Bonds1

About 3-tert-butyl-N,N-dimethylnaphthalen-1-amine

3-tert-butyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 170263067) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethylnaphthalen-1-amine
PubChem CID170263067
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-tert-butyl-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cc(C(C)(C)C)cc2ccccc12
InChIInChI=1S/C16H21N/c1-16(2,3)13-10-12-8-6-7-9-14(12)15(11-13)17(4)5/h6-11H,1-5H3
InChIKeyIBFBDNMUHJEXRG-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

14,29,44-tritert-butyltridecacyclo[32.11.1.14,12.119,27.02,33.03,17.06,11.018,32.021,26.036,41.042,46.016,48.031,47]octatetraconta-1(45),2,4,6,8,10,12(48),13,15,17,19,21,23,25,27(47),28,30,32,34,36,38,40,42(46),43-tetracosaene
CID 132518134
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
bis(1-tert-butyl-3-fluorobenzene);bis(3-tert-butyl-1-methylnaphthalene);methane
CID 159084291
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine
CID 171341912
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
9-bromo-2-tert-butylanthracene
CID 23148611
N-methyl-N-naphthalen-1-ylphenanthren-9-amine
CID 18740121
N,N,1-trimethylnaphthalen-2-amine;hydrochloride
CID 174570104
6-tert-butyl-1-methylnaphthalene
CID 3019609
1-[[2-(dimethylamino)naphthalen-1-yl]methyl]-N,N-dimethylnaphthalen-2-amine
CID 15514899

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 3-tert-butyl-N,N-dimethylnaphthalen-1-amine (CID 170263067) is 3-tert-butyl-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 3-tert-butyl-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 3-tert-butyl-N,N-dimethylnaphthalen-1-amine is CN(C)c1cc(C(C)(C)C)cc2ccccc12.
What is the InChIKey of 3-tert-butyl-N,N-dimethylnaphthalen-1-amine?
The InChIKey is IBFBDNMUHJEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-16(2,3)13-10-12-8-6-7-9-14(12)15(11-13)17(4)5/h6-11H,1-5H3.
What are the key properties of 3-tert-butyl-N,N-dimethylnaphthalen-1-amine?
3-tert-butyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 170263067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).