5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine

C13H21N — CID 10420084

IUPAC5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine
SMILES[H]/N=C1\CCC2=C1CCC(C(C)(C)C)C2
InChIInChI=1S/C13H21N/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10,14H,4-8H2,1-3H3/b14-12+
InChIKeyVIWWEWNVVVZOMQ-WYMLVPIESA-N
MW191.32 g/mol
LogP3.94
Rot. Bonds

About 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine

5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine (PubChem CID 10420084) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine.

Molecular Properties

Compound Name5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine
PubChem CID10420084
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine
SMILES[H]/N=C1\CCC2=C1CCC(C(C)(C)C)C2
InChIInChI=1S/C13H21N/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10,14H,4-8H2,1-3H3/b14-12+
InChIKeyVIWWEWNVVVZOMQ-WYMLVPIESA-N
XLogP3.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol
CID 130128613
(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
CID 135082030
lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
CID 135082029
4-tert-butylcyclohexan-1-one
CID 7392
2-tert-butyl-5-methyl-1,2,3,4,5,6-hexahydropentalene
CID 163602854
5-tert-butyl-2-methylidenecyclohexan-1-one;ethene
CID 170948504
[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanamine
CID 96685182
(1S)-1-tert-butyl-3-methylidenecyclohexane
CID 161355600
2-imino-5-(trifluoromethyl)cyclohexane-1-thione
CID 91261817
5-tert-butyl-2-(3-phenylpropyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 101023587
5-tert-butylthiolan-2-imine
CID 19799650
4-tert-butyl-2-methyl-1-(3-methylbutan-2-yl)cyclohexene
CID 91362979

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine?
The IUPAC name of 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine (CID 10420084) is 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine.
What is the SMILES notation for 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine?
The canonical SMILES for 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine is [H]/N=C1\CCC2=C1CCC(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine?
The InChIKey is VIWWEWNVVVZOMQ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H21N/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10,14H,4-8H2,1-3H3/b14-12+.
What are the key properties of 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine?
5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine is sourced from PubChem (CID 10420084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).