6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C14H17N — CID 140655860

IUPAC6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILES[C-]#[N+]c1ccc2c(c1)CCC(C(C)C)C2
InChIInChI=1S/C14H17N/c1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11/h6-7,9-11H,4-5,8H2,1-2H3
InChIKeyLMYWROQGPHNUNF-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.00
Rot. Bonds1

About 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene

6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 140655860) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID140655860
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILES[C-]#[N+]c1ccc2c(c1)CCC(C(C)C)C2
InChIInChI=1S/C14H17N/c1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11/h6-7,9-11H,4-5,8H2,1-2H3
InChIKeyLMYWROQGPHNUNF-UHFFFAOYSA-N
XLogP4.00
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 153348951
1-[(2R)-6-isocyano-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-2-one
CID 123608232
(1S)-7-isocyano-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 159491747
8-isocyano-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 168757373
(7R)-1-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 14681793
3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112815
6-[4-[(2R)-6-isocyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxopiperazin-1-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 123835921
2-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 15917866
ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
CID 167218753
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 82113977

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 140655860) is 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene is [C-]#[N+]c1ccc2c(c1)CCC(C(C)C)C2.
What is the InChIKey of 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LMYWROQGPHNUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11/h6-7,9-11H,4-5,8H2,1-2H3.
What are the key properties of 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 199.30 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 140655860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).