(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine

C15H29N — CID 166969577

IUPAC(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine
SMILESCCC1(C)C/C=C\CC(C)(C)CCN(C)C1
InChIInChI=1S/C15H29N/c1-6-15(4)10-8-7-9-14(2,3)11-12-16(5)13-15/h7-8H,6,9-13H2,1-5H3/b8-7-
InChIKeySDOVNASYEVHMNI-FPLPWBNLSA-N
MW223.40 g/mol
LogP4.10
Rot. Bonds1

About (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine

(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine (PubChem CID 166969577) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine.

Molecular Properties

Compound Name(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine
PubChem CID166969577
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine
SMILESCCC1(C)C/C=C\CC(C)(C)CCN(C)C1
InChIInChI=1S/C15H29N/c1-6-15(4)10-8-7-9-14(2,3)11-12-16(5)13-15/h7-8H,6,9-13H2,1-5H3/b8-7-
InChIKeySDOVNASYEVHMNI-FPLPWBNLSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine?
The IUPAC name of (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine (CID 166969577) is (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine.
What is the SMILES notation for (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine?
The canonical SMILES for (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine is CCC1(C)C/C=C\CC(C)(C)CCN(C)C1.
What is the InChIKey of (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine?
The InChIKey is SDOVNASYEVHMNI-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H29N/c1-6-15(4)10-8-7-9-14(2,3)11-12-16(5)13-15/h7-8H,6,9-13H2,1-5H3/b8-7-.
What are the key properties of (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine?
(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine has a molecular weight of 223.40 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine is sourced from PubChem (CID 166969577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).