1,4,4-trimethyl-2,3-dihydroquinolin-6-amine

C12H18N2 — CID 53407083

IUPAC1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
SMILESCN1CCC(C)(C)c2cc(N)ccc21
InChIInChI=1S/C12H18N2/c1-12(2)6-7-14(3)11-5-4-9(13)8-10(11)12/h4-5,8H,6-7,13H2,1-3H3
InChIKeyBWEJCNRADFZAKH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.39
Rot. Bonds

About 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine

1,4,4-trimethyl-2,3-dihydroquinolin-6-amine (PubChem CID 53407083) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine.

Molecular Properties

Compound Name1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
PubChem CID53407083
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
SMILESCN1CCC(C)(C)c2cc(N)ccc21
InChIInChI=1S/C12H18N2/c1-12(2)6-7-14(3)11-5-4-9(13)8-10(11)12/h4-5,8H,6-7,13H2,1-3H3
InChIKeyBWEJCNRADFZAKH-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine?
The IUPAC name of 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine (CID 53407083) is 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine.
What is the SMILES notation for 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine?
The canonical SMILES for 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine is CN1CCC(C)(C)c2cc(N)ccc21.
What is the InChIKey of 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine?
The InChIKey is BWEJCNRADFZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2)6-7-14(3)11-5-4-9(13)8-10(11)12/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine?
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine has a molecular weight of 190.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-2,3-dihydroquinolin-6-amine is sourced from PubChem (CID 53407083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).