N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine

C14H27N — CID 143658290

IUPACN-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine
SMILESC=CCC/N=C(\C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-8-9-10-15-13(4)11(2)12(3)14(5,6)7/h8,11-12H,1,9-10H2,2-7H3/b15-13+
InChIKeyIHMJATUHCFSGEF-FYWRMAATSA-N
MW209.38 g/mol
LogP4.34
Rot. Bonds5

About N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine

N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine (PubChem CID 143658290) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine.

Molecular Properties

Compound NameN-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine
PubChem CID143658290
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine
SMILESC=CCC/N=C(\C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-8-9-10-15-13(4)11(2)12(3)14(5,6)7/h8,11-12H,1,9-10H2,2-7H3/b15-13+
InChIKeyIHMJATUHCFSGEF-FYWRMAATSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.34
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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Related Compounds

4,5,5,6-tetrakis(prop-2-enyl)-3,4-dihydro-2H-pyridine
CID 69327479
2,3-di(propan-2-yl)-3H-pyrrole
CID 89447260
2,3-Dimethyl-3-(2-methylpropyl)pyrrole
CID 90014511
2-(2,3-dimethylbutan-2-yl)-3H-pyrrole
CID 118967359
N,3,3,5,5-pentamethylhept-6-en-2-imine
CID 123270736
5,6-dimethyl-5-prop-2-enyl-3,4-dihydro-2H-pyridine
CID 123379998
4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine
CID 123415924
3-ethyl-4-methyl-N-propan-2-ylhept-6-en-2-imine
CID 123513645
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
N,3,5,5-tetramethylhept-6-en-2-imine
CID 123612758
3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
CID 123648430
N-but-2-enyl-4,4-dimethylhexan-3-imine
CID 123789627

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine?
The IUPAC name of N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine (CID 143658290) is N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine.
What is the SMILES notation for N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine?
The canonical SMILES for N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine is C=CCC/N=C(\C)C(C)C(C)C(C)(C)C.
What is the InChIKey of N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine?
The InChIKey is IHMJATUHCFSGEF-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27N/c1-8-9-10-15-13(4)11(2)12(3)14(5,6)7/h8,11-12H,1,9-10H2,2-7H3/b15-13+.
What are the key properties of N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine?
N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine is sourced from PubChem (CID 143658290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).