trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C16H30N2O2 — CID 98891135

IUPACtrans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](NC[C@H]2CN(C3CC3)CCO2)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-4-19-15-9-14(16(15,2)3)17-10-13-11-18(7-8-20-13)12-5-6-12/h12-15,17H,4-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyANBIQRZGIHBNDM-RRFJBIMHSA-N
MW282.43 g/mol
LogP1.64
Rot. Bonds6

About trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 98891135) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID98891135
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametrans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](NC[C@H]2CN(C3CC3)CCO2)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-4-19-15-9-14(16(15,2)3)17-10-13-11-18(7-8-20-13)12-5-6-12/h12-15,17H,4-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyANBIQRZGIHBNDM-RRFJBIMHSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 79082844
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 64852708
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112634146
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine
CID 124845597
1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124856490
N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 129423695
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 98891135) is trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCO[C@@H]1C[C@@H](NC[C@H]2CN(C3CC3)CCO2)C1(C)C.
What is the InChIKey of trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is ANBIQRZGIHBNDM-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-19-15-9-14(16(15,2)3)17-10-13-11-18(7-8-20-13)12-5-6-12/h12-15,17H,4-11H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 98891135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).