7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine

C17H27N — CID 84632092

IUPAC7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCNC1CCC(C)(C)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H27N/c1-16(2,3)12-7-8-14-13(11-12)15(18-6)9-10-17(14,4)5/h7-8,11,15,18H,9-10H2,1-6H3
InChIKeyBQDCSJUBEPQNNT-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.32
Rot. Bonds1

About 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine

7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 84632092) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID84632092
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCNC1CCC(C)(C)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H27N/c1-16(2,3)12-7-8-14-13(11-12)15(18-6)9-10-17(14,4)5/h7-8,11,15,18H,9-10H2,1-6H3
InChIKeyBQDCSJUBEPQNNT-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
CID 84637960
1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene
CID 79838157
N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 116525983
N,4,4,5,7-pentamethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 84622723
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
N,4-ditert-butyl-2-cyclopropylaniline
CID 130287728
4-tert-butyl-1-chloro-2-cyclopropylbenzene
CID 122594497
N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595921
N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
CID 166322938
N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine
CID 170245479
1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 175562292

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 84632092) is 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine is CNC1CCC(C)(C)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is BQDCSJUBEPQNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-16(2,3)12-7-8-14-13(11-12)15(18-6)9-10-17(14,4)5/h7-8,11,15,18H,9-10H2,1-6H3.
What are the key properties of 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine?
7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 84632092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).