N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine

C12H24N2O — CID 44784980

IUPACN-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)C1CCOCC1
InChIInChI=1S/C12H24N2O/c1-13-12(10-14-6-2-3-7-14)11-4-8-15-9-5-11/h11-13H,2-10H2,1H3
InChIKeyNNOWKUNCHNLIAZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine

N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 44784980) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID44784980
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)C1CCOCC1
InChIInChI=1S/C12H24N2O/c1-13-12(10-14-6-2-3-7-14)11-4-8-15-9-5-11/h11-13H,2-10H2,1H3
InChIKeyNNOWKUNCHNLIAZ-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine (CID 44784980) is N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine is CNC(CN1CCCC1)C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is NNOWKUNCHNLIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-12(10-14-6-2-3-7-14)11-4-8-15-9-5-11/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine?
N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 44784980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).