N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine

C14H28N2O — CID 62390224

IUPACN-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC2C)CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-15-11-14(6-9-17-10-7-14)12-16-8-4-5-13(16)2/h13,15H,3-12H2,1-2H3
InChIKeyGBTXZHCKSFZQPH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62390224) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62390224
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC2C)CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-15-11-14(6-9-17-10-7-14)12-16-8-4-5-13(16)2/h13,15H,3-12H2,1-2H3
InChIKeyGBTXZHCKSFZQPH-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066618
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62263729
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395
[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62390573
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62258423
N-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 79946020
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 83221462
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
1-[4-[(2,3-dimethylpiperidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392017

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (CID 62390224) is N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCCC2C)CCOCC1.
What is the InChIKey of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is GBTXZHCKSFZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-15-11-14(6-9-17-10-7-14)12-16-8-4-5-13(16)2/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62390224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).