N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one

C24H41NO — CID 143713482

IUPACN,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one
SMILESC=C/C=C(\CCC(C)C)C(=C)CC/C(C=C)=C/C=C=O.CC.CN(C)C
InChIInChI=1S/C19H26O.C3H9N.C2H6/c1-6-9-19(14-11-16(3)4)17(5)12-13-18(7-2)10-8-15-20;1-4(2)3;1-2/h6-10,16H,1-2,5,11-14H2,3-4H3;1-3H3;1-2H3/b18-10+,19-9+;;
InChIKeyQFDVPFSFSKBLDZ-RMHJPRMTSA-N
MW359.60 g/mol
LogP6.58
Rot. Bonds10

About N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one

N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one (PubChem CID 143713482) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one
PubChem CID143713482
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC NameN,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one
SMILESC=C/C=C(\CCC(C)C)C(=C)CC/C(C=C)=C/C=C=O.CC.CN(C)C
InChIInChI=1S/C19H26O.C3H9N.C2H6/c1-6-9-19(14-11-16(3)4)17(5)12-13-18(7-2)10-8-15-20;1-4(2)3;1-2/h6-10,16H,1-2,5,11-14H2,3-4H3;1-3H3;1-2H3/b18-10+,19-9+;;
InChIKeyQFDVPFSFSKBLDZ-RMHJPRMTSA-N
XLogP6.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one?
The IUPAC name of N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one (CID 143713482) is N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one?
The canonical SMILES for N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one is C=C/C=C(\CCC(C)C)C(=C)CC/C(C=C)=C/C=C=O.CC.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one?
The InChIKey is QFDVPFSFSKBLDZ-RMHJPRMTSA-N. The full InChI is InChI=1S/C19H26O.C3H9N.C2H6/c1-6-9-19(14-11-16(3)4)17(5)12-13-18(7-2)10-8-15-20;1-4(2)3;1-2/h6-10,16H,1-2,5,11-14H2,3-4H3;1-3H3;1-2H3/b18-10+,19-9+;;.
What are the key properties of N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one?
N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one has a molecular weight of 359.60 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;(3Z,8E)-4-ethenyl-11-methyl-7-methylidene-8-prop-2-enylidenedodeca-1,3-dien-1-one is sourced from PubChem (CID 143713482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).