N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine

C16H30N2O — CID 79184590

IUPACN-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCCOC2)CC1C
InChIInChI=1S/C16H30N2O/c1-13-8-18(9-14(13)2)11-16(6-3-7-19-12-16)10-17-15-4-5-15/h13-15,17H,3-12H2,1-2H3
InChIKeyJZDVTFBWRPEQPA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine

N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79184590) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID79184590
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCCOC2)CC1C
InChIInChI=1S/C16H30N2O/c1-13-8-18(9-14(13)2)11-16(6-3-7-19-12-16)10-17-15-4-5-15/h13-15,17H,3-12H2,1-2H3
InChIKeyJZDVTFBWRPEQPA-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740628
1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
CID 106674069
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine (CID 79184590) is N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine is CC1CN(CC2(CNC3CC3)CCCOC2)CC1C.
What is the InChIKey of N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is JZDVTFBWRPEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-8-18(9-14(13)2)11-16(6-3-7-19-12-16)10-17-15-4-5-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 266.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79184590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).