3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine

C16H31N — CID 167253194

IUPAC3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine
SMILESC=C(C(C)C(C)/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31N/c1-11(12(2)15(5,6)7)13(3)17-14(4)16(8,9)10/h11,13H,2H2,1,3-10H3/b17-14+
InChIKeyVCPGZAYGHOAKKT-SAPNQHFASA-N
MW237.43 g/mol
LogP5.12
Rot. Bonds3

About 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine

3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine (PubChem CID 167253194) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine
PubChem CID167253194
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine
SMILESC=C(C(C)C(C)/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31N/c1-11(12(2)15(5,6)7)13(3)17-14(4)16(8,9)10/h11,13H,2H2,1,3-10H3/b17-14+
InChIKeyVCPGZAYGHOAKKT-SAPNQHFASA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane
CID 174065751
3-(3,3-dimethylbut-1-en-2-yl)pentane-2,4-dione
CID 86081358
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-N-methylpropan-2-amine
CID 126709395
2-methylpropane;prop-1-en-2-amine
CID 174893746
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol
CID 155029838
3-chloro-3-methyl-N-propan-2-ylbutan-2-imine
CID 12696210
3-ethenyl-2,3-dimethylpenta-1,4-diene
CID 123897882
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
CID 134526755
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
CID 90330755

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine?
The IUPAC name of 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine (CID 167253194) is 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine.
What is the SMILES notation for 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine?
The canonical SMILES for 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine is C=C(C(C)C(C)/N=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine?
The InChIKey is VCPGZAYGHOAKKT-SAPNQHFASA-N. The full InChI is InChI=1S/C16H31N/c1-11(12(2)15(5,6)7)13(3)17-14(4)16(8,9)10/h11,13H,2H2,1,3-10H3/b17-14+.
What are the key properties of 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine?
3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine has a molecular weight of 237.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine is sourced from PubChem (CID 167253194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).