N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

C17H32N2O — CID 62931491

IUPACN-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1(C)CCN(CC2(CNC3CC3)CCOCC2)CC1
InChIInChI=1S/C17H32N2O/c1-16(2)5-9-19(10-6-16)14-17(7-11-20-12-8-17)13-18-15-3-4-15/h15,18H,3-14H2,1-2H3
InChIKeyATXIALFEJUYSDL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds5

About N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62931491) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62931491
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1(C)CCN(CC2(CNC3CC3)CCOCC2)CC1
InChIInChI=1S/C17H32N2O/c1-16(2)5-9-19(10-6-16)14-17(7-11-20-12-8-17)13-18-15-3-4-15/h15,18H,3-14H2,1-2H3
InChIKeyATXIALFEJUYSDL-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914507
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914544
N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine
CID 103991931
N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine
CID 115440028
N-[[1-(2,2-dimethylpropyl)-4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropanamine
CID 134405756
N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine
CID 134505379
N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane
CID 142326958
7-(6-Azaspiro[2.5]octan-2-yl)-2-oxa-7-azaspiro[3.5]nonane
CID 156286487
1-Methylpiperidin-4-amine;oxan-4-ylmethanamine
CID 158856884
3-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 169658903
N-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-propan-2-ylpiperidin-4-amine
CID 169670011
7-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-oxa-7-azaspiro[3.5]nonane
CID 173936558

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62931491) is N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is CC1(C)CCN(CC2(CNC3CC3)CCOCC2)CC1.
What is the InChIKey of N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is ATXIALFEJUYSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)5-9-19(10-6-16)14-17(7-11-20-12-8-17)13-18-15-3-4-15/h15,18H,3-14H2,1-2H3.
What are the key properties of N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62931491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).