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

C12H17N — CID 143699356

IUPAC(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene
SMILESC=C1CC(C)(C)/C=C\C=C=CN1C
InChIInChI=1S/C12H17N/c1-11-10-12(2,3)8-6-5-7-9-13(11)4/h5-6,8-9H,1,10H2,2-4H3/b8-6-
InChIKeyXCCVWGRVARWIGK-VURMDHGXSA-N
MW175.27 g/mol
LogP3.09
Rot. Bonds

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

(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene (PubChem CID 143699356) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene.

Molecular Properties

Compound Name(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene
PubChem CID143699356
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene
SMILESC=C1CC(C)(C)/C=C\C=C=CN1C
InChIInChI=1S/C12H17N/c1-11-10-12(2,3)8-6-5-7-9-13(11)4/h5-6,8-9H,1,10H2,2-4H3/b8-6-
InChIKeyXCCVWGRVARWIGK-VURMDHGXSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 139245201
3,4-ditert-butyl-1-methyl-2H-pyridine
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2,6-ditert-butyl-1-methyl-2H-pyridine
CID 53444027
(4Z)-1,7,7-trimethyl-8-methylidene-3,6-dihydro-2H-azocine
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(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
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Frequently Asked Questions

What is the IUPAC name of (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
The IUPAC name of (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene (CID 143699356) is (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene.
What is the SMILES notation for (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
The canonical SMILES for (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene is C=C1CC(C)(C)/C=C\C=C=CN1C.
What is the InChIKey of (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
The InChIKey is XCCVWGRVARWIGK-VURMDHGXSA-N. The full InChI is InChI=1S/C12H17N/c1-11-10-12(2,3)8-6-5-7-9-13(11)4/h5-6,8-9H,1,10H2,2-4H3/b8-6-.
What are the key properties of (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene?
(5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene has a molecular weight of 175.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,4,4-trimethyl-2-methylidene-1-azacyclonona-5,7,8-triene is sourced from PubChem (CID 143699356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).