N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine

C15H29N — CID 143811198

IUPACN-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine
SMILESC=CCC/N=C(\CC)C(C)C(C)C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-10-11-16-14(9-2)12(3)13(4)15(5,6)7/h8,12-13H,1,9-11H2,2-7H3/b16-14+
InChIKeyUPTOIUKPXQDFGZ-JQIJEIRASA-N
MW223.40 g/mol
LogP4.73
Rot. Bonds6

About N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine

N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine (PubChem CID 143811198) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine.

Molecular Properties

Compound NameN-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine
PubChem CID143811198
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine
SMILESC=CCC/N=C(\CC)C(C)C(C)C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-10-11-16-14(9-2)12(3)13(4)15(5,6)7/h8,12-13H,1,9-11H2,2-7H3/b16-14+
InChIKeyUPTOIUKPXQDFGZ-JQIJEIRASA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.73
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-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine?
The IUPAC name of N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine (CID 143811198) is N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine.
What is the SMILES notation for N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine?
The canonical SMILES for N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine is C=CCC/N=C(\CC)C(C)C(C)C(C)(C)C.
What is the InChIKey of N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine?
The InChIKey is UPTOIUKPXQDFGZ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H29N/c1-8-10-11-16-14(9-2)12(3)13(4)15(5,6)7/h8,12-13H,1,9-11H2,2-7H3/b16-14+.
What are the key properties of N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine?
N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine has a molecular weight of 223.40 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4,5,6,6-tetramethylheptan-3-imine is sourced from PubChem (CID 143811198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).