N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C16H33N3O — CID 114539648

IUPACN-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CC(C)N(C)C(C)C2)CCOC1
InChIInChI=1S/C16H33N3O/c1-13(2)17-10-16(6-7-20-12-16)11-19-8-14(3)18(5)15(4)9-19/h13-15,17H,6-12H2,1-5H3
InChIKeyCUBMEQBNRFSUPJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds5

About N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 114539648) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID114539648
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CC(C)N(C)C(C)C2)CCOC1
InChIInChI=1S/C16H33N3O/c1-13(2)17-10-16(6-7-20-12-16)11-19-8-14(3)18(5)15(4)9-19/h13-15,17H,6-12H2,1-5H3
InChIKeyCUBMEQBNRFSUPJ-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine
CID 81475022
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258067
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 83221053
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
[6-methyl-4-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]morpholin-2-yl]methanol
CID 102936430
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63742224
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 114539648) is N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CC(C)N(C)C(C)C2)CCOC1.
What is the InChIKey of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is CUBMEQBNRFSUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)17-10-16(6-7-20-12-16)11-19-8-14(3)18(5)15(4)9-19/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114539648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).