ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine

C18H33N — CID 142087332

IUPACethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine
SMILESCC.CC1CCC(C)(C)c2cc(N)ccc21.CCC
InChIInChI=1S/C13H19N.C3H8.C2H6/c1-9-6-7-13(2,3)12-8-10(14)4-5-11(9)12;1-3-2;1-2/h4-5,8-9H,6-7,14H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyLPGXNFFIIWRCNA-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.89
Rot. Bonds

About ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine

ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine (PubChem CID 142087332) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine.

Molecular Properties

Compound Nameethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine
PubChem CID142087332
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine
SMILESCC.CC1CCC(C)(C)c2cc(N)ccc21.CCC
InChIInChI=1S/C13H19N.C3H8.C2H6/c1-9-6-7-13(2,3)12-8-10(14)4-5-11(9)12;1-3-2;1-2/h4-5,8-9H,6-7,14H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyLPGXNFFIIWRCNA-UHFFFAOYSA-N
XLogP5.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
CID 142273964
N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine
CID 170245479
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
CID 153378822
(8R)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 57293578
2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane
CID 59903954
(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 104889638
(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
CID 57265971
1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
CID 102196246
1,3,3-trimethyl-1,2-dihydroinden-5-ol
CID 18183555
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
CID 53407083

Frequently Asked Questions

What is the IUPAC name of ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine?
The IUPAC name of ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine (CID 142087332) is ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine.
What is the SMILES notation for ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine?
The canonical SMILES for ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine is CC.CC1CCC(C)(C)c2cc(N)ccc21.CCC.
What is the InChIKey of ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine?
The InChIKey is LPGXNFFIIWRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C3H8.C2H6/c1-9-6-7-13(2,3)12-8-10(14)4-5-11(9)12;1-3-2;1-2/h4-5,8-9H,6-7,14H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine?
ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine has a molecular weight of 263.47 g/mol, XLogP of 5.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine is sourced from PubChem (CID 142087332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).