N-propan-2-yl-2-propan-2-ylidenepentan-1-imine

C11H21N — CID 126637189

IUPACN-propan-2-yl-2-propan-2-ylidenepentan-1-imine
SMILESCCCC(/C=N/C(C)C)=C(C)C
InChIInChI=1S/C11H21N/c1-6-7-11(9(2)3)8-12-10(4)5/h8,10H,6-7H2,1-5H3/b12-8+
InChIKeyBAWWTUYSRSEIKV-XYOKQWHBSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds4

About N-propan-2-yl-2-propan-2-ylidenepentan-1-imine

N-propan-2-yl-2-propan-2-ylidenepentan-1-imine (PubChem CID 126637189) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-propan-2-yl-2-propan-2-ylidenepentan-1-imine.

Molecular Properties

Compound NameN-propan-2-yl-2-propan-2-ylidenepentan-1-imine
PubChem CID126637189
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-propan-2-yl-2-propan-2-ylidenepentan-1-imine
SMILESCCCC(/C=N/C(C)C)=C(C)C
InChIInChI=1S/C11H21N/c1-6-7-11(9(2)3)8-12-10(4)5/h8,10H,6-7H2,1-5H3/b12-8+
InChIKeyBAWWTUYSRSEIKV-XYOKQWHBSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
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-propan-2-yl-2-propan-2-ylidenepentan-1-imine?
The IUPAC name of N-propan-2-yl-2-propan-2-ylidenepentan-1-imine (CID 126637189) is N-propan-2-yl-2-propan-2-ylidenepentan-1-imine.
What is the SMILES notation for N-propan-2-yl-2-propan-2-ylidenepentan-1-imine?
The canonical SMILES for N-propan-2-yl-2-propan-2-ylidenepentan-1-imine is CCCC(/C=N/C(C)C)=C(C)C.
What is the InChIKey of N-propan-2-yl-2-propan-2-ylidenepentan-1-imine?
The InChIKey is BAWWTUYSRSEIKV-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-11(9(2)3)8-12-10(4)5/h8,10H,6-7H2,1-5H3/b12-8+.
What are the key properties of N-propan-2-yl-2-propan-2-ylidenepentan-1-imine?
N-propan-2-yl-2-propan-2-ylidenepentan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propan-2-ylidenepentan-1-imine is sourced from PubChem (CID 126637189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).