3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine

C14H27NO — CID 115906411

IUPAC3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2(CC)CC2)C1(C)C
InChIInChI=1S/C14H27NO/c1-5-14(7-8-14)10-15-11-9-12(16-6-2)13(11,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyFIJZTUXYTPBDGX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 115906411) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID115906411
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2(CC)CC2)C1(C)C
InChIInChI=1S/C14H27NO/c1-5-14(7-8-14)10-15-11-9-12(16-6-2)13(11,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyFIJZTUXYTPBDGX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine
CID 106115161
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
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
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 64850958

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine (CID 115906411) is 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCC2(CC)CC2)C1(C)C.
What is the InChIKey of 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is FIJZTUXYTPBDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(7-8-14)10-15-11-9-12(16-6-2)13(11,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 115906411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).