3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine

C13H25NO — CID 107303038

IUPAC3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
SMILESC=CCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C13H25NO/c1-5-7-8-9-14-11-10-12(15-6-2)13(11,3)4/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyDAXWFNMHSPLOGB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine (PubChem CID 107303038) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
PubChem CID107303038
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
SMILESC=CCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C13H25NO/c1-5-7-8-9-14-11-10-12(15-6-2)13(11,3)4/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyDAXWFNMHSPLOGB-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclobutan-1-amine
CID 115906268
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide
CID 114119503
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 103922077
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
3-ethoxy-2,2-dimethyl-N-(2-prop-2-ynylsulfanylethyl)cyclobutan-1-amine
CID 115906363

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine (CID 107303038) is 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine is C=CCCCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine?
The InChIKey is DAXWFNMHSPLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-8-9-14-11-10-12(15-6-2)13(11,3)4/h5,11-12,14H,1,6-10H2,2-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine is sourced from PubChem (CID 107303038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).