N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine

C17H22N2 — CID 79592558

IUPACN-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
SMILESCC(C)(C)NCCC=Cc1cnc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-17(2,3)19-11-7-6-8-14-12-15-9-4-5-10-16(15)18-13-14/h4-6,8-10,12-13,19H,7,11H2,1-3H3
InChIKeyOUUKJMPQUPDBRB-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.03
Rot. Bonds4

About N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine

N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine (PubChem CID 79592558) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
PubChem CID79592558
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
SMILESCC(C)(C)NCCC=Cc1cnc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-17(2,3)19-11-7-6-8-14-12-15-9-4-5-10-16(15)18-13-14/h4-6,8-10,12-13,19H,7,11H2,1-3H3
InChIKeyOUUKJMPQUPDBRB-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
CID 79592735
3-[(E)-3-ethoxyprop-1-enyl]quinoline
CID 70971810
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
CID 122450322
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79599160

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine (CID 79592558) is N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine is CC(C)(C)NCCC=Cc1cnc2ccccc2c1.
What is the InChIKey of N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine?
The InChIKey is OUUKJMPQUPDBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,3)19-11-7-6-8-14-12-15-9-4-5-10-16(15)18-13-14/h4-6,8-10,12-13,19H,7,11H2,1-3H3.
What are the key properties of N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine?
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine is sourced from PubChem (CID 79592558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).