N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine

C17H28N2 — CID 133203039

IUPACN-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc2c(cc1C)N(C)C(C)(C)CC2C
InChIInChI=1S/C17H28N2/c1-7-18-11-14-9-15-13(3)10-17(4,5)19(6)16(15)8-12(14)2/h8-9,13,18H,7,10-11H2,1-6H3
InChIKeyXBWDPTMINSWEID-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.83
Rot. Bonds3

About N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine

N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine (PubChem CID 133203039) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine
PubChem CID133203039
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc2c(cc1C)N(C)C(C)(C)CC2C
InChIInChI=1S/C17H28N2/c1-7-18-11-14-9-15-13(3)10-17(4,5)19(6)16(15)8-12(14)2/h8-9,13,18H,7,10-11H2,1-6H3
InChIKeyXBWDPTMINSWEID-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine
CID 125047361
N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047352
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
2-naphthalen-1-yl-N-[(Z)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 99885807
6-ethoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline
CID 14387762
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484
5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50858409
(5Z)-3-ethyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 132654053
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
methyl 4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoate
CID 50858676
(5E)-1-(2-ethylphenyl)-5-[[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 99886043
(5Z)-1-(2-ethylphenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50858800

Frequently Asked Questions

What is the IUPAC name of N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine (CID 133203039) is N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine is CCNCc1cc2c(cc1C)N(C)C(C)(C)CC2C.
What is the InChIKey of N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine?
The InChIKey is XBWDPTMINSWEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-7-18-11-14-9-15-13(3)10-17(4,5)19(6)16(15)8-12(14)2/h8-9,13,18H,7,10-11H2,1-6H3.
What are the key properties of N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine?
N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine has a molecular weight of 260.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 133203039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).