N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine

C15H30N2O2 — CID 116522178

IUPACN-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C15H30N2O2/c1-4-7-16-10-13-12-18-9-8-17(13)11-14-5-6-15(2,3)19-14/h13-14,16H,4-12H2,1-3H3
InChIKeyXUEBGXPDCOWRNX-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.64
Rot. Bonds6

About N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 116522178) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID116522178
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C15H30N2O2/c1-4-7-16-10-13-12-18-9-8-17(13)11-14-5-6-15(2,3)19-14/h13-14,16H,4-12H2,1-3H3
InChIKeyXUEBGXPDCOWRNX-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100659
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
CID 116522763
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine
CID 83100570
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100581
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine (CID 116522178) is N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1CC1CCC(C)(C)O1.
What is the InChIKey of N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is XUEBGXPDCOWRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-7-16-10-13-12-18-9-8-17(13)11-14-5-6-15(2,3)19-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 270.42 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 N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 116522178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).