1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine

C14H20N2 — CID 114473358

IUPAC1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESC=C(C)CCN1CCCc2cc(N)ccc21
InChIInChI=1S/C14H20N2/c1-11(2)7-9-16-8-3-4-12-10-13(15)5-6-14(12)16/h5-6,10H,1,3-4,7-9,15H2,2H3
InChIKeyBZNNFHHYAWAQJY-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine

1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 114473358) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID114473358
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESC=C(C)CCN1CCCc2cc(N)ccc21
InChIInChI=1S/C14H20N2/c1-11(2)7-9-16-8-3-4-12-10-13(15)5-6-14(12)16/h5-6,10H,1,3-4,7-9,15H2,2H3
InChIKeyBZNNFHHYAWAQJY-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.99
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 113326478
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489538
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
CID 61493158
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
CID 63892508

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine (CID 114473358) is 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine is C=C(C)CCN1CCCc2cc(N)ccc21.
What is the InChIKey of 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is BZNNFHHYAWAQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)7-9-16-8-3-4-12-10-13(15)5-6-14(12)16/h5-6,10H,1,3-4,7-9,15H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine?
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 216.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 114473358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).