N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C15H31N3O — CID 55051702

IUPACN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCCN1CCN(CC2(CNC(C)C)CCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-4-17-6-8-18(9-7-17)12-15(5-10-19-13-15)11-16-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyQUFXPWLBCSSPKX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

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

N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55051702) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID55051702
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCCN1CCN(CC2(CNC(C)C)CCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-4-17-6-8-18(9-7-17)12-15(5-10-19-13-15)11-16-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyQUFXPWLBCSSPKX-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 55051702) is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CCN1CCN(CC2(CNC(C)C)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is QUFXPWLBCSSPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-17-6-8-18(9-7-17)12-15(5-10-19-13-15)11-16-14(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55051702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).