2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine

C14H25N — CID 88909930

IUPAC2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine
SMILESC=C=C(CC)N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-9-11(10-2)15-12(13(3,4)5)14(6,7)8/h1,10H2,2-8H3
InChIKeyNCPQUJYKNXXLMJ-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.60
Rot. Bonds2

About 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine

2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine (PubChem CID 88909930) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine
PubChem CID88909930
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine
SMILESC=C=C(CC)N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-9-11(10-2)15-12(13(3,4)5)14(6,7)8/h1,10H2,2-8H3
InChIKeyNCPQUJYKNXXLMJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2,2,4,4-tetramethylpentan-3-ylidene)carbamate
CID 13482927
2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine
CID 638163
2,2-dimethyl-3-methylidenepentane;ethene
CID 145286133
(Z)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
CID 3036401
3,4-dimethylundeca-1,2-dien-4-ol
CID 11106287
N-amino-N'-tert-butylpropanimidamide
CID 61362723
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
(1-tert-butyl-1-hydrazinylidene-2,2-dimethylpropylidene)hydrazine
CID 638162
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
CID 146609918
3,3-dimethylbut-1-en-2-yl N-(3,3-dimethylbut-1-en-2-yl)propanimidothioate
CID 123851210
3-methylsulfanylpenta-1,2-diene
CID 119097771
3-methoxypenta-1,2-diene
CID 71350747

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
The IUPAC name of 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine (CID 88909930) is 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
The canonical SMILES for 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine is C=C=C(CC)N=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
The InChIKey is NCPQUJYKNXXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9-11(10-2)15-12(13(3,4)5)14(6,7)8/h1,10H2,2-8H3.
What are the key properties of 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine?
2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine has a molecular weight of 207.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-penta-1,2-dien-3-ylpentan-3-imine is sourced from PubChem (CID 88909930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).