[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

C14H29N3O — CID 55116578

IUPAC[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCCC(C)N1CCN(CC2(CN)CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-3-13(2)17-7-5-16(6-8-17)11-14(10-15)4-9-18-12-14/h13H,3-12,15H2,1-2H3
InChIKeyGJAQNJTUDJMEGY-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds5

About [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 55116578) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID55116578
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCCC(C)N1CCN(CC2(CN)CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-3-13(2)17-7-5-16(6-8-17)11-14(10-15)4-9-18-12-14/h13H,3-12,15H2,1-2H3
InChIKeyGJAQNJTUDJMEGY-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (CID 55116578) is [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is CCC(C)N1CCN(CC2(CN)CCOC2)CC1.
What is the InChIKey of [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is GJAQNJTUDJMEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-13(2)17-7-5-16(6-8-17)11-14(10-15)4-9-18-12-14/h13H,3-12,15H2,1-2H3.
What are the key properties of [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 55116578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).