(8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine

C14H21N — CID 139406230

IUPAC(8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine
SMILESC=C1CCCC(C(C)C)C(=C)/C=C\C=N\1
InChIInChI=1S/C14H21N/c1-11(2)14-9-5-8-13(4)15-10-6-7-12(14)3/h6-7,10-11,14H,3-5,8-9H2,1-2H3/b7-6-,15-10+
InChIKeyPXISHOUXLWHCJE-GZJRMXIGSA-N
MW203.33 g/mol
LogP4.14
Rot. Bonds1

About (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine

(8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine (PubChem CID 139406230) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine.

Molecular Properties

Compound Name(8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine
PubChem CID139406230
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine
SMILESC=C1CCCC(C(C)C)C(=C)/C=C\C=N\1
InChIInChI=1S/C14H21N/c1-11(2)14-9-5-8-13(4)15-10-6-7-12(14)3/h6-7,10-11,14H,3-5,8-9H2,1-2H3/b7-6-,15-10+
InChIKeyPXISHOUXLWHCJE-GZJRMXIGSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine?
The IUPAC name of (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine (CID 139406230) is (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine.
What is the SMILES notation for (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine?
The canonical SMILES for (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine is C=C1CCCC(C(C)C)C(=C)/C=C\C=N\1.
What is the InChIKey of (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine?
The InChIKey is PXISHOUXLWHCJE-GZJRMXIGSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14-9-5-8-13(4)15-10-6-7-12(14)3/h6-7,10-11,14H,3-5,8-9H2,1-2H3/b7-6-,15-10+.
What are the key properties of (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine?
(8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine has a molecular weight of 203.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2,7-dimethylidene-6-propan-2-yl-3,4,5,6-tetrahydroazecine is sourced from PubChem (CID 139406230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).