2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine

C19H30N2 — CID 143604168

IUPAC2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine
SMILESC/C=C\C1=C(/C=C\C)C2(C=C1C)CCNCC2.C=CNC
InChIInChI=1S/C16H23N.C3H7N/c1-4-6-14-13(3)12-16(15(14)7-5-2)8-10-17-11-9-16;1-3-4-2/h4-7,12,17H,8-11H2,1-3H3;3-4H,1H2,2H3/b6-4-,7-5-;
InChIKeyRQMQLCWZDDYEOG-ISOJEIHBSA-N
MW286.46 g/mol
LogP4.11
Rot. Bonds3

About 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine

2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine (PubChem CID 143604168) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine.

Molecular Properties

Compound Name2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine
PubChem CID143604168
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine
SMILESC/C=C\C1=C(/C=C\C)C2(C=C1C)CCNCC2.C=CNC
InChIInChI=1S/C16H23N.C3H7N/c1-4-6-14-13(3)12-16(15(14)7-5-2)8-10-17-11-9-16;1-3-4-2/h4-7,12,17H,8-11H2,1-3H3;3-4H,1H2,2H3/b6-4-,7-5-;
InChIKeyRQMQLCWZDDYEOG-ISOJEIHBSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine?
The IUPAC name of 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine (CID 143604168) is 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine.
What is the SMILES notation for 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine?
The canonical SMILES for 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine is C/C=C\C1=C(/C=C\C)C2(C=C1C)CCNCC2.C=CNC.
What is the InChIKey of 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine?
The InChIKey is RQMQLCWZDDYEOG-ISOJEIHBSA-N. The full InChI is InChI=1S/C16H23N.C3H7N/c1-4-6-14-13(3)12-16(15(14)7-5-2)8-10-17-11-9-16;1-3-4-2/h4-7,12,17H,8-11H2,1-3H3;3-4H,1H2,2H3/b6-4-,7-5-;.
What are the key properties of 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine?
2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine has a molecular weight of 286.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-bis[(Z)-prop-1-enyl]-8-azaspiro[4.5]deca-1,3-diene;N-methylethenamine is sourced from PubChem (CID 143604168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).