N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine

C16H32N2O — CID 55242233

IUPACN-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC2CC)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-9-17-12-16(8-6-11-19-14-16)13-18-10-5-7-15(18)4-2/h15,17H,3-14H2,1-2H3
InChIKeyUMUYEQKEVIFIPC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine

N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine (PubChem CID 55242233) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
PubChem CID55242233
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC2CC)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-9-17-12-16(8-6-11-19-14-16)13-18-10-5-7-15(18)4-2/h15,17H,3-14H2,1-2H3
InChIKeyUMUYEQKEVIFIPC-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 102789456
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104691962
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 62888333
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
CID 81116507
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine (CID 55242233) is N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCCC2CC)CCCOC1.
What is the InChIKey of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The InChIKey is UMUYEQKEVIFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-9-17-12-16(8-6-11-19-14-16)13-18-10-5-7-15(18)4-2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55242233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).