4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine

C16H31NO2 — CID 70307790

IUPAC4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine
SMILESCCCCOC[C@H]1C[C@@H](CN2CCOCC2)C1(C)C
InChIInChI=1S/C16H31NO2/c1-4-5-8-19-13-15-11-14(16(15,2)3)12-17-6-9-18-10-7-17/h14-15H,4-13H2,1-3H3/t14-,15+/m0/s1
InChIKeySAGHWOHMKMEQCC-LSDHHAIUSA-N
MW269.43 g/mol
LogP2.80
Rot. Bonds7

About 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine

4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine (PubChem CID 70307790) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine
PubChem CID70307790
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine
SMILESCCCCOC[C@H]1C[C@@H](CN2CCOCC2)C1(C)C
InChIInChI=1S/C16H31NO2/c1-4-5-8-19-13-15-11-14(16(15,2)3)12-17-6-9-18-10-7-17/h14-15H,4-13H2,1-3H3/t14-,15+/m0/s1
InChIKeySAGHWOHMKMEQCC-LSDHHAIUSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine (CID 70307790) is 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine is CCCCOC[C@H]1C[C@@H](CN2CCOCC2)C1(C)C.
What is the InChIKey of 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine?
The InChIKey is SAGHWOHMKMEQCC-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-5-8-19-13-15-11-14(16(15,2)3)12-17-6-9-18-10-7-17/h14-15H,4-13H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine?
4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine has a molecular weight of 269.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]methyl]morpholine is sourced from PubChem (CID 70307790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).