3,3-dimethyl-N-propan-2-ylbutan-1-imine

C9H19N — CID 101148358

IUPAC3,3-dimethyl-N-propan-2-ylbutan-1-imine
SMILESCC(C)/N=C/CC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2)10-7-6-9(3,4)5/h7-8H,6H2,1-5H3/b10-7+
InChIKeyYIJPGCXHHLVDHW-JXMROGBWSA-N
MW141.26 g/mol
LogP2.90
Rot. Bonds2

About 3,3-dimethyl-N-propan-2-ylbutan-1-imine

3,3-dimethyl-N-propan-2-ylbutan-1-imine (PubChem CID 101148358) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,3-dimethyl-N-propan-2-ylbutan-1-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-propan-2-ylbutan-1-imine
PubChem CID101148358
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,3-dimethyl-N-propan-2-ylbutan-1-imine
SMILESCC(C)/N=C/CC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2)10-7-6-9(3,4)5/h7-8H,6H2,1-5H3/b10-7+
InChIKeyYIJPGCXHHLVDHW-JXMROGBWSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.90
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 3,3-dimethyl-N-propan-2-ylbutan-1-imine?
The IUPAC name of 3,3-dimethyl-N-propan-2-ylbutan-1-imine (CID 101148358) is 3,3-dimethyl-N-propan-2-ylbutan-1-imine.
What is the SMILES notation for 3,3-dimethyl-N-propan-2-ylbutan-1-imine?
The canonical SMILES for 3,3-dimethyl-N-propan-2-ylbutan-1-imine is CC(C)/N=C/CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propan-2-ylbutan-1-imine?
The InChIKey is YIJPGCXHHLVDHW-JXMROGBWSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)10-7-6-9(3,4)5/h7-8H,6H2,1-5H3/b10-7+.
What are the key properties of 3,3-dimethyl-N-propan-2-ylbutan-1-imine?
3,3-dimethyl-N-propan-2-ylbutan-1-imine has a molecular weight of 141.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propan-2-ylbutan-1-imine is sourced from PubChem (CID 101148358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).