N,2,2-trimethylpropan-1-imine

C6H13N — CID 637642

IUPACN,2,2-trimethylpropan-1-imine
SMILESC/N=C/C(C)(C)C
InChIInChI=1S/C6H13N/c1-6(2,3)5-7-4/h5H,1-4H3/b7-5+
InChIKeyPXHKEAWDVXYEOT-FNORWQNLSA-N
MW99.18 g/mol
LogP1.73
Rot. Bonds

About N,2,2-trimethylpropan-1-imine

N,2,2-trimethylpropan-1-imine (PubChem CID 637642) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N,2,2-trimethylpropan-1-imine.

Molecular Properties

Compound NameN,2,2-trimethylpropan-1-imine
PubChem CID637642
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN,2,2-trimethylpropan-1-imine
SMILESC/N=C/C(C)(C)C
InChIInChI=1S/C6H13N/c1-6(2,3)5-7-4/h5H,1-4H3/b7-5+
InChIKeyPXHKEAWDVXYEOT-FNORWQNLSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.73
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,2,2-trimethylpropan-1-imine?
The IUPAC name of N,2,2-trimethylpropan-1-imine (CID 637642) is N,2,2-trimethylpropan-1-imine.
What is the SMILES notation for N,2,2-trimethylpropan-1-imine?
The canonical SMILES for N,2,2-trimethylpropan-1-imine is C/N=C/C(C)(C)C.
What is the InChIKey of N,2,2-trimethylpropan-1-imine?
The InChIKey is PXHKEAWDVXYEOT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2,3)5-7-4/h5H,1-4H3/b7-5+.
What are the key properties of N,2,2-trimethylpropan-1-imine?
N,2,2-trimethylpropan-1-imine has a molecular weight of 99.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethylpropan-1-imine is sourced from PubChem (CID 637642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).