N-propan-2-ylbutan-2-imine

C7H15N — CID 535666

IUPACN-propan-2-ylbutan-2-imine
SMILESCC/C(C)=N/C(C)C
InChIInChI=1S/C7H15N/c1-5-7(4)8-6(2)3/h6H,5H2,1-4H3/b8-7+
InChIKeyPPKQQUAFBRDFGV-BQYQJAHWSA-N
MW113.20 g/mol
LogP2.27
Rot. Bonds2

About N-propan-2-ylbutan-2-imine

N-propan-2-ylbutan-2-imine (PubChem CID 535666) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-propan-2-ylbutan-2-imine.

Molecular Properties

Compound NameN-propan-2-ylbutan-2-imine
PubChem CID535666
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-propan-2-ylbutan-2-imine
SMILESCC/C(C)=N/C(C)C
InChIInChI=1S/C7H15N/c1-5-7(4)8-6(2)3/h6H,5H2,1-4H3/b8-7+
InChIKeyPPKQQUAFBRDFGV-BQYQJAHWSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-propan-2-ylhex-4-en-3-imine
CID 130433844
N-[(3R)-5-methylhex-5-en-3-yl]butan-2-imine
CID 163484239
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
CID 134526755
N-butan-2-ylidenehydroxylamine
CID 7292
N-butan-2-ylidenehydroxylamine;vanadium
CID 162258260
1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
CID 18931756
N-(propan-2-ylideneamino)butan-2-imine
CID 59062083
2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
2-methyl-N-propan-2-ylbutanimidoyl fluoride
CID 134344210
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;promethium
CID 153491674
N-cyano-N'-propan-2-ylpropanimidamide
CID 55299461

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylbutan-2-imine?
The IUPAC name of N-propan-2-ylbutan-2-imine (CID 535666) is N-propan-2-ylbutan-2-imine.
What is the SMILES notation for N-propan-2-ylbutan-2-imine?
The canonical SMILES for N-propan-2-ylbutan-2-imine is CC/C(C)=N/C(C)C.
What is the InChIKey of N-propan-2-ylbutan-2-imine?
The InChIKey is PPKQQUAFBRDFGV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15N/c1-5-7(4)8-6(2)3/h6H,5H2,1-4H3/b8-7+.
What are the key properties of N-propan-2-ylbutan-2-imine?
N-propan-2-ylbutan-2-imine has a molecular weight of 113.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylbutan-2-imine is sourced from PubChem (CID 535666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).