4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine

C19H27NO — CID 21410097

IUPAC4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine
SMILESC=CCNC1C2CCCCC1(C)c1cc(OC)ccc1C2
InChIInChI=1S/C19H27NO/c1-4-11-20-18-15-7-5-6-10-19(18,2)17-13-16(21-3)9-8-14(17)12-15/h4,8-9,13,15,18,20H,1,5-7,10-12H2,2-3H3
InChIKeyZEFAPXANTBVPLJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.84
Rot. Bonds4

About 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine

4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine (PubChem CID 21410097) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine.

Molecular Properties

Compound Name4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine
PubChem CID21410097
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine
SMILESC=CCNC1C2CCCCC1(C)c1cc(OC)ccc1C2
InChIInChI=1S/C19H27NO/c1-4-11-20-18-15-7-5-6-10-19(18,2)17-13-16(21-3)9-8-14(17)12-15/h4,8-9,13,15,18,20H,1,5-7,10-12H2,2-3H3
InChIKeyZEFAPXANTBVPLJ-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.84
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 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine?
The IUPAC name of 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine (CID 21410097) is 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine.
What is the SMILES notation for 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine?
The canonical SMILES for 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine is C=CCNC1C2CCCCC1(C)c1cc(OC)ccc1C2.
What is the InChIKey of 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine?
The InChIKey is ZEFAPXANTBVPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-11-20-18-15-7-5-6-10-19(18,2)17-13-16(21-3)9-8-14(17)12-15/h4,8-9,13,15,18,20H,1,5-7,10-12H2,2-3H3.
What are the key properties of 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine?
4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine has a molecular weight of 285.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine is sourced from PubChem (CID 21410097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).