trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine

C12H24N2O — CID 147491210

IUPACtrans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine
SMILESCOCC1(CN[C@@H]2C[C@H]2C)CCNCC1
InChIInChI=1S/C12H24N2O/c1-10-7-11(10)14-8-12(9-15-2)3-5-13-6-4-12/h10-11,13-14H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyFFOFJVWPKRGCAU-GHMZBOCLSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds5

About trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine

trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine (PubChem CID 147491210) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine
PubChem CID147491210
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nametrans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine
SMILESCOCC1(CN[C@@H]2C[C@H]2C)CCNCC1
InChIInChI=1S/C12H24N2O/c1-10-7-11(10)14-8-12(9-15-2)3-5-13-6-4-12/h10-11,13-14H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyFFOFJVWPKRGCAU-GHMZBOCLSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine (CID 147491210) is trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine is COCC1(CN[C@@H]2C[C@H]2C)CCNCC1.
What is the InChIKey of trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine?
The InChIKey is FFOFJVWPKRGCAU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-7-11(10)14-8-12(9-15-2)3-5-13-6-4-12/h10-11,13-14H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine?
trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 147491210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).