3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine

C20H30N2 — CID 123468568

IUPAC3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine
SMILESC=C(CC(C)C)C1C2=CCCC=C2N=C(N)C1=C(C)C(C)C
InChIInChI=1S/C20H30N2/c1-12(2)11-14(5)18-16-9-7-8-10-17(16)22-20(21)19(18)15(6)13(3)4/h9-10,12-13,18H,5,7-8,11H2,1-4,6H3,(H2,21,22)
InChIKeyNXNLSCLZYVNEPC-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.15
Rot. Bonds4

About 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine

3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine (PubChem CID 123468568) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine
PubChem CID123468568
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine
SMILESC=C(CC(C)C)C1C2=CCCC=C2N=C(N)C1=C(C)C(C)C
InChIInChI=1S/C20H30N2/c1-12(2)11-14(5)18-16-9-7-8-10-17(16)22-20(21)19(18)15(6)13(3)4/h9-10,12-13,18H,5,7-8,11H2,1-4,6H3,(H2,21,22)
InChIKeyNXNLSCLZYVNEPC-UHFFFAOYSA-N
XLogP5.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine?
The IUPAC name of 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine (CID 123468568) is 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine.
What is the SMILES notation for 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine?
The canonical SMILES for 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine is C=C(CC(C)C)C1C2=CCCC=C2N=C(N)C1=C(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine?
The InChIKey is NXNLSCLZYVNEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-12(2)11-14(5)18-16-9-7-8-10-17(16)22-20(21)19(18)15(6)13(3)4/h9-10,12-13,18H,5,7-8,11H2,1-4,6H3,(H2,21,22).
What are the key properties of 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine?
3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine has a molecular weight of 298.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine is sourced from PubChem (CID 123468568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).