N-butyl-2,3-dimethylbut-1-en-1-imine

C10H19N — CID 12892459

IUPACN-butyl-2,3-dimethylbut-1-en-1-imine
SMILESCCCCN=C=C(C)C(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-11-8-10(4)9(2)3/h9H,5-7H2,1-4H3
InChIKeyRGZDTMFJEFYBFY-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.06
Rot. Bonds4

About N-butyl-2,3-dimethylbut-1-en-1-imine

N-butyl-2,3-dimethylbut-1-en-1-imine (PubChem CID 12892459) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-butyl-2,3-dimethylbut-1-en-1-imine.

Molecular Properties

Compound NameN-butyl-2,3-dimethylbut-1-en-1-imine
PubChem CID12892459
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-butyl-2,3-dimethylbut-1-en-1-imine
SMILESCCCCN=C=C(C)C(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-11-8-10(4)9(2)3/h9H,5-7H2,1-4H3
InChIKeyRGZDTMFJEFYBFY-UHFFFAOYSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.06
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'}

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Related Compounds

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CID 123584737
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CID 102140626
N,N'-dioctadecylmethanediimine
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CID 170442301
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(E)-3-methyl-2-nitrosooct-3-ene
CID 135191859
CID 5494236
CID 5494236
1-isothiocyanatotetracosane
CID 175827875
1-isothiocyanatopentane;λ2-stannane
CID 173286662
N'-pentyl-N-propylmethanediimine
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2-(butyliminomethylideneamino)-N,N-dimethylethanamine
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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dimethylbut-1-en-1-imine?
The IUPAC name of N-butyl-2,3-dimethylbut-1-en-1-imine (CID 12892459) is N-butyl-2,3-dimethylbut-1-en-1-imine.
What is the SMILES notation for N-butyl-2,3-dimethylbut-1-en-1-imine?
The canonical SMILES for N-butyl-2,3-dimethylbut-1-en-1-imine is CCCCN=C=C(C)C(C)C.
What is the InChIKey of N-butyl-2,3-dimethylbut-1-en-1-imine?
The InChIKey is RGZDTMFJEFYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-7-11-8-10(4)9(2)3/h9H,5-7H2,1-4H3.
What are the key properties of N-butyl-2,3-dimethylbut-1-en-1-imine?
N-butyl-2,3-dimethylbut-1-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dimethylbut-1-en-1-imine is sourced from PubChem (CID 12892459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).