4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine

C13H25N — CID 170237020

IUPAC4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine
SMILESCCC(C)CNC1(C)C=CC1(C)CC
InChIInChI=1S/C13H25N/c1-6-11(3)10-14-13(5)9-8-12(13,4)7-2/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeySTTAURXXMDGWGQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds5

About 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine

4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine (PubChem CID 170237020) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine.

Molecular Properties

Compound Name4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine
PubChem CID170237020
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine
SMILESCCC(C)CNC1(C)C=CC1(C)CC
InChIInChI=1S/C13H25N/c1-6-11(3)10-14-13(5)9-8-12(13,4)7-2/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeySTTAURXXMDGWGQ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethyl-3,4-dimethylcyclobutene
CID 123792676
2-methyl-N-phosphanylbutan-1-amine
CID 88977726
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
CID 43679704
3,5-dimethyl-N-(2-methylbutyl)adamantan-1-amine
CID 79999123
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
methane;3-methylpentane
CID 157218592

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine?
The IUPAC name of 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine (CID 170237020) is 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine.
What is the SMILES notation for 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine?
The canonical SMILES for 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine is CCC(C)CNC1(C)C=CC1(C)CC.
What is the InChIKey of 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine?
The InChIKey is STTAURXXMDGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-11(3)10-14-13(5)9-8-12(13,4)7-2/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine?
4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-dimethyl-N-(2-methylbutyl)cyclobut-2-en-1-amine is sourced from PubChem (CID 170237020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).