[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane

C14H27NO — CID 143582302

IUPAC[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane
SMILESCC.CC1/C=C\C=C/CCN(C)C(CO)C1
InChIInChI=1S/C12H21NO.C2H6/c1-11-7-5-3-4-6-8-13(2)12(9-11)10-14;1-2/h3-5,7,11-12,14H,6,8-10H2,1-2H3;1-2H3/b4-3-,7-5-;
InChIKeyUYSROJWEFILTTO-RYQTYZJISA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds1

About [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane

[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane (PubChem CID 143582302) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane
PubChem CID143582302
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane
SMILESCC.CC1/C=C\C=C/CCN(C)C(CO)C1
InChIInChI=1S/C12H21NO.C2H6/c1-11-7-5-3-4-6-8-13(2)12(9-11)10-14;1-2/h3-5,7,11-12,14H,6,8-10H2,1-2H3;1-2H3/b4-3-,7-5-;
InChIKeyUYSROJWEFILTTO-RYQTYZJISA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane?
The IUPAC name of [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane (CID 143582302) is [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane.
What is the SMILES notation for [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane?
The canonical SMILES for [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane is CC.CC1/C=C\C=C/CCN(C)C(CO)C1.
What is the InChIKey of [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane?
The InChIKey is UYSROJWEFILTTO-RYQTYZJISA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-11-7-5-3-4-6-8-13(2)12(9-11)10-14;1-2/h3-5,7,11-12,14H,6,8-10H2,1-2H3;1-2H3/b4-3-,7-5-;.
What are the key properties of [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane?
[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane has a molecular weight of 225.38 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane is sourced from PubChem (CID 143582302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).