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

C16H33N3O — CID 63620317

IUPACN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCN(C)C(CC)C2)O1
InChIInChI=1S/C16H33N3O/c1-4-8-17-11-15-6-7-16(20-15)13-19-10-9-18(3)14(5-2)12-19/h14-17H,4-13H2,1-3H3
InChIKeyDSZRWGZGCDYAPZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.56
Rot. Bonds7

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

N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 63620317) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID63620317
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCN(C)C(CC)C2)O1
InChIInChI=1S/C16H33N3O/c1-4-8-17-11-15-6-7-16(20-15)13-19-10-9-18(3)14(5-2)12-19/h14-17H,4-13H2,1-3H3
InChIKeyDSZRWGZGCDYAPZ-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 63620317) is N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2CCN(C)C(CC)C2)O1.
What is the InChIKey of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is DSZRWGZGCDYAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-8-17-11-15-6-7-16(20-15)13-19-10-9-18(3)14(5-2)12-19/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63620317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).