(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine

C18H20N2O — CID 6446109

IUPAC(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine
SMILESCc1ccc2c(n1)Oc1ccccc1/C2=C\CCN(C)C
InChIInChI=1S/C18H20N2O/c1-13-10-11-16-14(8-6-12-20(2)3)15-7-4-5-9-17(15)21-18(16)19-13/h4-5,7-11H,6,12H2,1-3H3/b14-8+
InChIKeyDQONWMJUMLUHLS-RIYZIHGNSA-N
MW280.37 g/mol
LogP3.88
Rot. Bonds3

About (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine

(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine (PubChem CID 6446109) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine.

Molecular Properties

Compound Name(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine
PubChem CID6446109
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine
SMILESCc1ccc2c(n1)Oc1ccccc1/C2=C\CCN(C)C
InChIInChI=1S/C18H20N2O/c1-13-10-11-16-14(8-6-12-20(2)3)15-7-4-5-9-17(15)21-18(16)19-13/h4-5,7-11H,6,12H2,1-3H3/b14-8+
InChIKeyDQONWMJUMLUHLS-RIYZIHGNSA-N
XLogP3.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine?
The IUPAC name of (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine (CID 6446109) is (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine.
What is the SMILES notation for (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine?
The canonical SMILES for (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine is Cc1ccc2c(n1)Oc1ccccc1/C2=C\CCN(C)C.
What is the InChIKey of (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine?
The InChIKey is DQONWMJUMLUHLS-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-10-11-16-14(8-6-12-20(2)3)15-7-4-5-9-17(15)21-18(16)19-13/h4-5,7-11H,6,12H2,1-3H3/b14-8+.
What are the key properties of (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine?
(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine is sourced from PubChem (CID 6446109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).