(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium

C16H26N+ — CID 162800855

IUPAC(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium
SMILESC#[N+]C1(C)CCC(C(C)C)C2C=C(C)CCC21
InChIInChI=1S/C16H26N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h5,10-11,13-15H,6-9H2,1-4H3/q+1
InChIKeyZMRSIKCBWWLYCQ-UHFFFAOYSA-N
MW232.39 g/mol
LogP4.75
Rot. Bonds1

About (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium

(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium (PubChem CID 162800855) has the molecular formula C16H26N+ and a molecular weight of 232.39 g/mol. Its IUPAC name is (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium.

Molecular Properties

Compound Name(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium
PubChem CID162800855
Molecular FormulaC16H26N+
Molecular Weight232.39 g/mol
Exact Mass232.21
IUPAC Name(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium
SMILESC#[N+]C1(C)CCC(C(C)C)C2C=C(C)CCC21
InChIInChI=1S/C16H26N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h5,10-11,13-15H,6-9H2,1-4H3/q+1
InChIKeyZMRSIKCBWWLYCQ-UHFFFAOYSA-N
XLogP4.75
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4,7-trimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CID 72512205
(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1-thiol
CID 44566866
(1S,4R,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 11990360
(4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 6428325
[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide
CID 163131420
(1S,4S,4aS,8aS)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CID 100637115
(1S,4R,4aR)-1,4,6-trimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 89094088
(4aS,10aS)-6-[[(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]oxy]-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 11677578
(1S,4S,4aR,8aS)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 25195166
1,6-dimethyl-4-(6-methylhept-5-en-2-yl)-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 14707361
(4aR,5S,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
CID 101381938
5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
CID 73198139

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium?
The IUPAC name of (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium (CID 162800855) is (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium.
What is the SMILES notation for (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium?
The canonical SMILES for (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium is C#[N+]C1(C)CCC(C(C)C)C2C=C(C)CCC21.
What is the InChIKey of (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium?
The InChIKey is ZMRSIKCBWWLYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h5,10-11,13-15H,6-9H2,1-4H3/q+1.
What are the key properties of (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium?
(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium has a molecular weight of 232.39 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl)-methylidyneazanium is sourced from PubChem (CID 162800855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).