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

C18H30N2 — CID 125047361

IUPACN-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C
InChIInChI=1S/C18H30N2/c1-7-8-19-12-15-10-16-14(3)11-18(4,5)20(6)17(16)9-13(15)2/h9-10,14,19H,7-8,11-12H2,1-6H3/t14-/m1/s1
InChIKeyYHSPNJKCNATXIZ-CQSZACIVSA-N
MW274.45 g/mol
LogP4.22
Rot. Bonds4

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

N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine (PubChem CID 125047361) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine
PubChem CID125047361
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C
InChIInChI=1S/C18H30N2/c1-7-8-19-12-15-10-16-14(3)11-18(4,5)20(6)17(16)9-13(15)2/h9-10,14,19H,7-8,11-12H2,1-6H3/t14-/m1/s1
InChIKeyYHSPNJKCNATXIZ-CQSZACIVSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine
CID 133203039
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
(5Z)-3-ethyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 132654053
6-ethoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline
CID 14387762
N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047352
2-naphthalen-1-yl-N-[(Z)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 99885807
(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
(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
1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203032
5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50858416

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine (CID 125047361) is N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine is CCCNCc1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C.
What is the InChIKey of N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine?
The InChIKey is YHSPNJKCNATXIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N2/c1-7-8-19-12-15-10-16-14(3)11-18(4,5)20(6)17(16)9-13(15)2/h9-10,14,19H,7-8,11-12H2,1-6H3/t14-/m1/s1.
What are the key properties of N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine?
N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 125047361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).