N-tert-butyl-2-methylpropan-1-imine

C8H17N — CID 10887913

IUPACN-tert-butyl-2-methylpropan-1-imine
SMILESCC(C)/C=N/C(C)(C)C
InChIInChI=1S/C8H17N/c1-7(2)6-9-8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKeyKLUWMRAQLXQISC-RMKNXTFCSA-N
MW127.23 g/mol
LogP2.51
Rot. Bonds1

About N-tert-butyl-2-methylpropan-1-imine

N-tert-butyl-2-methylpropan-1-imine (PubChem CID 10887913) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-tert-butyl-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2-methylpropan-1-imine
PubChem CID10887913
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-tert-butyl-2-methylpropan-1-imine
SMILESCC(C)/C=N/C(C)(C)C
InChIInChI=1S/C8H17N/c1-7(2)6-9-8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKeyKLUWMRAQLXQISC-RMKNXTFCSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpropan-1-imine?
The IUPAC name of N-tert-butyl-2-methylpropan-1-imine (CID 10887913) is N-tert-butyl-2-methylpropan-1-imine.
What is the SMILES notation for N-tert-butyl-2-methylpropan-1-imine?
The canonical SMILES for N-tert-butyl-2-methylpropan-1-imine is CC(C)/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylpropan-1-imine?
The InChIKey is KLUWMRAQLXQISC-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)6-9-8(3,4)5/h6-7H,1-5H3/b9-6+.
What are the key properties of N-tert-butyl-2-methylpropan-1-imine?
N-tert-butyl-2-methylpropan-1-imine has a molecular weight of 127.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpropan-1-imine is sourced from PubChem (CID 10887913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).