2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine

C17H23N — CID 113329802

IUPAC2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESC#CC(C)(C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C17H23N/c1-6-17(4,5)18-15-14-10-8-7-9-13(14)11-12-16(15,2)3/h1,7-10,15,18H,11-12H2,2-5H3
InChIKeyBGXWIIIBHCQEKM-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.70
Rot. Bonds2

About 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 113329802) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID113329802
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESC#CC(C)(C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C17H23N/c1-6-17(4,5)18-15-14-10-8-7-9-13(14)11-12-16(15,2)3/h1,7-10,15,18H,11-12H2,2-5H3
InChIKeyBGXWIIIBHCQEKM-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanamide
CID 115532003
N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine
CID 63997676
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
CID 83010508
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532219
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 114544136

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine (CID 113329802) is 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine is C#CC(C)(C)NC1c2ccccc2CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is BGXWIIIBHCQEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-6-17(4,5)18-15-14-10-8-7-9-13(14)11-12-16(15,2)3/h1,7-10,15,18H,11-12H2,2-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 113329802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).