(Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine

C16H22N2 — CID 88935343

IUPAC(Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine
SMILESCC1=C(C)C2=C(C/C(=C(C)\C(C)=C/N)C=C2)NC1
InChIInChI=1S/C16H22N2/c1-10(8-17)12(3)14-5-6-15-13(4)11(2)9-18-16(15)7-14/h5-6,8,18H,7,9,17H2,1-4H3/b10-8-,14-12-
InChIKeyDLKXFQYUXUPMOJ-ZNUXKPFCSA-N
MW242.37 g/mol
LogP3.32
Rot. Bonds1

About (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine

(Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine (PubChem CID 88935343) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine
PubChem CID88935343
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine
SMILESCC1=C(C)C2=C(C/C(=C(C)\C(C)=C/N)C=C2)NC1
InChIInChI=1S/C16H22N2/c1-10(8-17)12(3)14-5-6-15-13(4)11(2)9-18-16(15)7-14/h5-6,8,18H,7,9,17H2,1-4H3/b10-8-,14-12-
InChIKeyDLKXFQYUXUPMOJ-ZNUXKPFCSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine?
The IUPAC name of (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine (CID 88935343) is (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine is CC1=C(C)C2=C(C/C(=C(C)\C(C)=C/N)C=C2)NC1.
What is the InChIKey of (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine?
The InChIKey is DLKXFQYUXUPMOJ-ZNUXKPFCSA-N. The full InChI is InChI=1S/C16H22N2/c1-10(8-17)12(3)14-5-6-15-13(4)11(2)9-18-16(15)7-14/h5-6,8,18H,7,9,17H2,1-4H3/b10-8-,14-12-.
What are the key properties of (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine?
(Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(3,4-dimethyl-2,8-dihydro-1H-quinolin-7-ylidene)-2-methylbut-1-en-1-amine is sourced from PubChem (CID 88935343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).