N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine

C10H19N — CID 138622945

IUPACN-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
SMILESCC(C)=C/C=N/CC(C)(C)C
InChIInChI=1S/C10H19N/c1-9(2)6-7-11-8-10(3,4)5/h6-7H,8H2,1-5H3/b11-7+
InChIKeyNCBIDGRXWAYTMT-YRNVUSSQSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine

N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine (PubChem CID 138622945) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
PubChem CID138622945
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
SMILESCC(C)=C/C=N/CC(C)(C)C
InChIInChI=1S/C10H19N/c1-9(2)6-7-11-8-10(3,4)5/h6-7H,8H2,1-5H3/b11-7+
InChIKeyNCBIDGRXWAYTMT-YRNVUSSQSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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

N-(2,2-dimethylpropyl)butan-1-imine
CID 59863662
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
CID 159737053
(E)-N-methoxy-3-methylbut-2-en-1-imine
CID 177464066
ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine
CID 143099985
CID 159178711
CID 159178711
CID 57417970
CID 57417970
3,5,5-trimethylhex-2-enal
CID 529962
(E)-3,5,5-trimethylhex-2-enal
CID 5352913
(Z)-N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
CID 124629013
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 72660193

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine?
The IUPAC name of N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine (CID 138622945) is N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine is CC(C)=C/C=N/CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine?
The InChIKey is NCBIDGRXWAYTMT-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)6-7-11-8-10(3,4)5/h6-7H,8H2,1-5H3/b11-7+.
What are the key properties of N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine?
N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine is sourced from PubChem (CID 138622945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).