3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine

C16H33N3O — CID 103060094

IUPAC3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CCN1CCCC1
InChIInChI=1S/C16H33N3O/c1-3-7-17-16-6-12-20-14-15(16)13-18(2)10-11-19-8-4-5-9-19/h15-17H,3-14H2,1-2H3
InChIKeyUSZLYGDKZMIAAY-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds8

About 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine

3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine (PubChem CID 103060094) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
PubChem CID103060094
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CCN1CCCC1
InChIInChI=1S/C16H33N3O/c1-3-7-17-16-6-12-20-14-15(16)13-18(2)10-11-19-8-4-5-9-19/h15-17H,3-14H2,1-2H3
InChIKeyUSZLYGDKZMIAAY-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103060644
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 103060409
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine (CID 103060094) is 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(C)CCN1CCCC1.
What is the InChIKey of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine?
The InChIKey is USZLYGDKZMIAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-7-17-16-6-12-20-14-15(16)13-18(2)10-11-19-8-4-5-9-19/h15-17H,3-14H2,1-2H3.
What are the key properties of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine?
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103060094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).