N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine

C12H24N2O — CID 104870155

IUPACN-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCN(CC1CCCCO1)C[C@@H]1CCCN1
InChIInChI=1S/C12H24N2O/c1-14(9-11-5-4-7-13-11)10-12-6-2-3-8-15-12/h11-13H,2-10H2,1H3/t11-,12?/m0/s1
InChIKeyWOLJPWZVMUBBQE-PXYINDEMSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine

N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 104870155) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID104870155
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCN(CC1CCCCO1)C[C@@H]1CCCN1
InChIInChI=1S/C12H24N2O/c1-14(9-11-5-4-7-13-11)10-12-6-2-3-8-15-12/h11-13H,2-10H2,1H3/t11-,12?/m0/s1
InChIKeyWOLJPWZVMUBBQE-PXYINDEMSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
CID 55047647
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
N-methyl-N-(oxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746355
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 114240374
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211472
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-ethyl-N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 113462152
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
CID 83199655

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine (CID 104870155) is N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine is CN(CC1CCCCO1)C[C@@H]1CCCN1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is WOLJPWZVMUBBQE-PXYINDEMSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(9-11-5-4-7-13-11)10-12-6-2-3-8-15-12/h11-13H,2-10H2,1H3/t11-,12?/m0/s1.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine?
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 104870155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).