ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene

C14H23N — CID 143699355

IUPACethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene
SMILESC=C1CC(C)(C)/C=C\C=C=CN1C.CC
InChIInChI=1S/C12H17N.C2H6/c1-11-10-12(2,3)8-6-5-7-9-13(11)4;1-2/h5-6,8-9H,1,10H2,2-4H3;1-2H3/b8-6-;
InChIKeyXKROPOYDSLANOY-PHZXCRFESA-N
MW205.34 g/mol
LogP4.11
Rot. Bonds

About ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene

ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene (PubChem CID 143699355) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene.

Molecular Properties

Compound Nameethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene
PubChem CID143699355
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene
SMILESC=C1CC(C)(C)/C=C\C=C=CN1C.CC
InChIInChI=1S/C12H17N.C2H6/c1-11-10-12(2,3)8-6-5-7-9-13(11)4;1-2/h5-6,8-9H,1,10H2,2-4H3;1-2H3/b8-6-;
InChIKeyXKROPOYDSLANOY-PHZXCRFESA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,6Z,8Z)-1,3,3-trimethyl-2H-azonine
CID 139243578
CID 139245192
CID 139245192
(6Z,8Z,10Z)-5-methyl-5-azaspiro[2.8]undeca-6,8,10-triene
CID 139245201
3,4-ditert-butyl-1-methyl-2H-pyridine
CID 23402542
2,6-ditert-butyl-1-methyl-2H-pyridine
CID 53444027
(4Z)-1,7,7-trimethyl-8-methylidene-3,6-dihydro-2H-azocine
CID 57785842
(5Z,7Z)-1,3,3-trimethyl-2-methylidene-4H-azocine
CID 57785850
2-Tert-butyl-1-methyl-3,8a-dihydroindolizine
CID 59640670
(4R)-1,4-dimethyl-3a,4-dihydroindole
CID 70289602
1,4-Dimethyl-3a,4-dihydroindole
CID 77812447
1,6,6-Trimethyl-7-methylidene-2,5-dihydroazepine
CID 89005789
(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine
CID 89193995

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
The IUPAC name of ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene (CID 143699355) is ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene.
What is the SMILES notation for ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
The canonical SMILES for ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene is C=C1CC(C)(C)/C=C\C=C=CN1C.CC.
What is the InChIKey of ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
The InChIKey is XKROPOYDSLANOY-PHZXCRFESA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-11-10-12(2,3)8-6-5-7-9-13(11)4;1-2/h5-6,8-9H,1,10H2,2-4H3;1-2H3/b8-6-;.
What are the key properties of ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene has a molecular weight of 205.34 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene is sourced from PubChem (CID 143699355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).