[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine

C14H23NO — CID 118612611

IUPAC[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
SMILESC=C1/C=C\C(OC)=C(\C)CCCCC1CN
InChIInChI=1S/C14H23NO/c1-11-8-9-14(16-3)12(2)6-4-5-7-13(11)10-15/h8-9,13H,1,4-7,10,15H2,2-3H3/b9-8-,14-12+
InChIKeyKICGHBXNZBVQLL-VMXLIBDNSA-N
MW221.34 g/mol
LogP3.17
Rot. Bonds2

About [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine

[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine (PubChem CID 118612611) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
PubChem CID118612611
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
SMILESC=C1/C=C\C(OC)=C(\C)CCCCC1CN
InChIInChI=1S/C14H23NO/c1-11-8-9-14(16-3)12(2)6-4-5-7-13(11)10-15/h8-9,13H,1,4-7,10,15H2,2-3H3/b9-8-,14-12+
InChIKeyKICGHBXNZBVQLL-VMXLIBDNSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine?
The IUPAC name of [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine (CID 118612611) is [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine.
What is the SMILES notation for [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine?
The canonical SMILES for [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine is C=C1/C=C\C(OC)=C(\C)CCCCC1CN.
What is the InChIKey of [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine?
The InChIKey is KICGHBXNZBVQLL-VMXLIBDNSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-8-9-14(16-3)12(2)6-4-5-7-13(11)10-15/h8-9,13H,1,4-7,10,15H2,2-3H3/b9-8-,14-12+.
What are the key properties of [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine?
[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine is sourced from PubChem (CID 118612611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).