(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine

C19H24N2O — CID 6435609

IUPAC(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine
SMILESCCc1nc2c(o1)CCc1ccccc1/C2=C/CCN(C)C
InChIInChI=1S/C19H24N2O/c1-4-18-20-19-16(10-7-13-21(2)3)15-9-6-5-8-14(15)11-12-17(19)22-18/h5-6,8-10H,4,7,11-13H2,1-3H3/b16-10-
InChIKeySACHUKKHDCCKPQ-YBEGLDIGSA-N
MW296.41 g/mol
LogP3.72
Rot. Bonds4

About (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine

(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 6435609) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID6435609
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine
SMILESCCc1nc2c(o1)CCc1ccccc1/C2=C/CCN(C)C
InChIInChI=1S/C19H24N2O/c1-4-18-20-19-16(10-7-13-21(2)3)15-9-6-5-8-14(15)11-12-17(19)22-18/h5-6,8-10H,4,7,11-13H2,1-3H3/b16-10-
InChIKeySACHUKKHDCCKPQ-YBEGLDIGSA-N
XLogP3.72
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine?
The IUPAC name of (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine (CID 6435609) is (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine is CCc1nc2c(o1)CCc1ccccc1/C2=C/CCN(C)C.
What is the InChIKey of (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is SACHUKKHDCCKPQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-18-20-19-16(10-7-13-21(2)3)15-9-6-5-8-14(15)11-12-17(19)22-18/h5-6,8-10H,4,7,11-13H2,1-3H3/b16-10-.
What are the key properties of (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine?
(3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(5-ethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 6435609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).