3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine

C17H35N3O — CID 114830683

IUPAC3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CC2CCCN2CC)C1(C)C
InChIInChI=1S/C17H35N3O/c1-6-20-10-8-9-14(20)12-19(5)13-17(18)11-15(21-7-2)16(17,3)4/h14-15H,6-13,18H2,1-5H3
InChIKeyDKBXHGREOJNJFX-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.93
Rot. Bonds7

About 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830683) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114830683
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CC2CCCN2CC)C1(C)C
InChIInChI=1S/C17H35N3O/c1-6-20-10-8-9-14(20)12-19(5)13-17(18)11-15(21-7-2)16(17,3)4/h14-15H,6-13,18H2,1-5H3
InChIKeyDKBXHGREOJNJFX-UHFFFAOYSA-N
XLogP1.93
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79319761
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
CID 114830305
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79313345
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
CID 79309509
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine (CID 114830683) is 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN(C)CC2CCCN2CC)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is DKBXHGREOJNJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-6-20-10-8-9-14(20)12-19(5)13-17(18)11-15(21-7-2)16(17,3)4/h14-15H,6-13,18H2,1-5H3.
What are the key properties of 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).