N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine

C15H30N2O2 — CID 104745193

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCOCC1(C)C)C1CCOC1
InChIInChI=1S/C15H30N2O2/c1-4-6-16-14(13-5-8-18-11-13)10-17-7-9-19-12-15(17,2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyKKGZOQDCEWLPPF-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104745193) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID104745193
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCOCC1(C)C)C1CCOC1
InChIInChI=1S/C15H30N2O2/c1-4-6-16-14(13-5-8-18-11-13)10-17-7-9-19-12-15(17,2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyKKGZOQDCEWLPPF-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
CID 104747633
3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747873
N-[2-(3-ethylpiperidin-1-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104744890
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104746222
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113448329
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
CID 104747581
N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745572
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 104745193) is N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CN1CCOCC1(C)C)C1CCOC1.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is KKGZOQDCEWLPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-6-16-14(13-5-8-18-11-13)10-17-7-9-19-12-15(17,2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104745193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).