3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine

C12H23N — CID 123426799

IUPAC3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine
SMILESCC/N=C(\C)C(=C(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-8-13-10(4)11(9(2)3)12(5,6)7/h8H2,1-7H3/b13-10+
InChIKeyVALYSJBVRVLNHG-JLHYYAGUSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds2

About 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine

3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine (PubChem CID 123426799) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine
PubChem CID123426799
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine
SMILESCC/N=C(\C)C(=C(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-8-13-10(4)11(9(2)3)12(5,6)7/h8H2,1-7H3/b13-10+
InChIKeyVALYSJBVRVLNHG-JLHYYAGUSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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

(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510
4-tert-butyl-5-methyl-2H-pyrrole
CID 58263540
(Z)-N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 58299412
N,3,3,4,4,5,6-heptamethylhept-5-en-2-imine
CID 59366448
N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine
CID 59366449
N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 59366455
N-ethyl-3,4-dimethylpent-3-en-2-imine
CID 59576226
3,5-dimethyl-4-propan-2-yl-2H-pyrrole
CID 59693681
(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
CID 59879255
(Z)-N-ethyl-3,4-dimethylhex-3-en-2-imine
CID 59921684

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine?
The IUPAC name of 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine (CID 123426799) is 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine.
What is the SMILES notation for 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine?
The canonical SMILES for 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine is CC/N=C(\C)C(=C(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine?
The InChIKey is VALYSJBVRVLNHG-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N/c1-8-13-10(4)11(9(2)3)12(5,6)7/h8H2,1-7H3/b13-10+.
What are the key properties of 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine?
3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine is sourced from PubChem (CID 123426799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).