N-butyl-2,2-dimethylpent-4-en-1-imine

C11H21N — CID 71427579

IUPACN-butyl-2,2-dimethylpent-4-en-1-imine
SMILESC=CCC(C)(C)/C=N/CCCC
InChIInChI=1S/C11H21N/c1-5-7-9-12-10-11(3,4)8-6-2/h6,10H,2,5,7-9H2,1,3-4H3/b12-10+
InChIKeySCWURQHOGNZSEI-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds6

About N-butyl-2,2-dimethylpent-4-en-1-imine

N-butyl-2,2-dimethylpent-4-en-1-imine (PubChem CID 71427579) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-butyl-2,2-dimethylpent-4-en-1-imine.

Molecular Properties

Compound NameN-butyl-2,2-dimethylpent-4-en-1-imine
PubChem CID71427579
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-butyl-2,2-dimethylpent-4-en-1-imine
SMILESC=CCC(C)(C)/C=N/CCCC
InChIInChI=1S/C11H21N/c1-5-7-9-12-10-11(3,4)8-6-2/h6,10H,2,5,7-9H2,1,3-4H3/b12-10+
InChIKeySCWURQHOGNZSEI-ZRDIBKRKSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethylpent-4-en-1-imine?
The IUPAC name of N-butyl-2,2-dimethylpent-4-en-1-imine (CID 71427579) is N-butyl-2,2-dimethylpent-4-en-1-imine.
What is the SMILES notation for N-butyl-2,2-dimethylpent-4-en-1-imine?
The canonical SMILES for N-butyl-2,2-dimethylpent-4-en-1-imine is C=CCC(C)(C)/C=N/CCCC.
What is the InChIKey of N-butyl-2,2-dimethylpent-4-en-1-imine?
The InChIKey is SCWURQHOGNZSEI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-9-12-10-11(3,4)8-6-2/h6,10H,2,5,7-9H2,1,3-4H3/b12-10+.
What are the key properties of N-butyl-2,2-dimethylpent-4-en-1-imine?
N-butyl-2,2-dimethylpent-4-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethylpent-4-en-1-imine is sourced from PubChem (CID 71427579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).