3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine

C15H30N2O — CID 114830783

IUPAC3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CNC2(CC)CCC2)C1(C)C
InChIInChI=1S/C15H30N2O/c1-5-14(8-7-9-14)17-11-15(16)10-12(18-6-2)13(15,3)4/h12,17H,5-11,16H2,1-4H3
InChIKeyMEAYNTRIYDYHSE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.44
Rot. Bonds6

About 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830783) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114830783
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CNC2(CC)CCC2)C1(C)C
InChIInChI=1S/C15H30N2O/c1-5-14(8-7-9-14)17-11-15(16)10-12(18-6-2)13(15,3)4/h12,17H,5-11,16H2,1-4H3
InChIKeyMEAYNTRIYDYHSE-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 114830457
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114830821
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114829995
3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114119860
1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830560
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
CID 114830305
1-amino-3-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829130
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 107456220

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine (CID 114830783) is 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CNC2(CC)CCC2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is MEAYNTRIYDYHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-14(8-7-9-14)17-11-15(16)10-12(18-6-2)13(15,3)4/h12,17H,5-11,16H2,1-4H3.
What are the key properties of 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).