1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine

C17H35N3O — CID 62433914

IUPAC1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC2CCC(CNC(C)(C)C)O2)CC1
InChIInChI=1S/C17H35N3O/c1-17(2,3)18-12-15-6-7-16(21-15)13-20-10-8-14(9-11-20)19(4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyCLWYEYSACUUIQK-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.95
Rot. Bonds5

About 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 62433914) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID62433914
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC2CCC(CNC(C)(C)C)O2)CC1
InChIInChI=1S/C17H35N3O/c1-17(2,3)18-12-15-6-7-16(21-15)13-20-10-8-14(9-11-20)19(4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyCLWYEYSACUUIQK-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 55157989
1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
CID 60851538
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylcyclopentanamine
CID 62418705
5-[[4-(dimethylamino)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 62299960
2-methyl-N-[[5-[[methyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62417002
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459646
N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 63166921
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62463360
N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62437899
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
CID 62440143

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 62433914) is 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CC2CCC(CNC(C)(C)C)O2)CC1.
What is the InChIKey of 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is CLWYEYSACUUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-17(2,3)18-12-15-6-7-16(21-15)13-20-10-8-14(9-11-20)19(4)5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 297.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 62433914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).