N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine

C15H31N3O — CID 66258964

IUPACN-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESCCNC1COCC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-4-16-15-12-19-11-14(15)10-18-7-5-17(6-8-18)9-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyXLLCVGNUXHWYSM-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.88
Rot. Bonds6

About N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine

N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine (PubChem CID 66258964) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
PubChem CID66258964
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESCCNC1COCC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-4-16-15-12-19-11-14(15)10-18-7-5-17(6-8-18)9-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyXLLCVGNUXHWYSM-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine (CID 66258964) is N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine is CCNC1COCC1CN1CCN(CC(C)C)CC1.
What is the InChIKey of N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
The InChIKey is XLLCVGNUXHWYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-16-15-12-19-11-14(15)10-18-7-5-17(6-8-18)9-13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine has a molecular weight of 269.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66258964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).