N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H33N3O — CID 63635812

IUPACN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCOC2)CCN1C
InChIInChI=1S/C16H33N3O/c1-14-10-19(8-7-18(14)5)12-16(6-9-20-13-16)11-17-15(2,3)4/h14,17H,6-13H2,1-5H3
InChIKeySFFMOJAZHNLICA-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds4

About N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63635812) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63635812
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCOC2)CCN1C
InChIInChI=1S/C16H33N3O/c1-14-10-19(8-7-18(14)5)12-16(6-9-20-13-16)11-17-15(2,3)4/h14,17H,6-13H2,1-5H3
InChIKeySFFMOJAZHNLICA-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740705
[4-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102936442
1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 63635835
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114539648
N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62392730
N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741713
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741247
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 63635812) is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC1CN(CC2(CNC(C)(C)C)CCOC2)CCN1C.
What is the InChIKey of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SFFMOJAZHNLICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14-10-19(8-7-18(14)5)12-16(6-9-20-13-16)11-17-15(2,3)4/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63635812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).