N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine

C16H32N2O — CID 134405756

IUPACN-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine
SMILESCOCC1(CNC2CC2)CCN(CC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)12-18-9-7-16(8-10-18,13-19-4)11-17-14-5-6-14/h14,17H,5-13H2,1-4H3
InChIKeyGYADSBBNQXYECH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine

N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 134405756) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine
PubChem CID134405756
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine
SMILESCOCC1(CNC2CC2)CCN(CC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)12-18-9-7-16(8-10-18,13-19-4)11-17-14-5-6-14/h14,17H,5-13H2,1-4H3
InChIKeyGYADSBBNQXYECH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine (CID 134405756) is N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine is COCC1(CNC2CC2)CCN(CC(C)(C)C)CC1.
What is the InChIKey of N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is GYADSBBNQXYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)12-18-9-7-16(8-10-18,13-19-4)11-17-14-5-6-14/h14,17H,5-13H2,1-4H3.
What are the key properties of N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 134405756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).