N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine

C15H33N3O — CID 62773502

IUPACN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCN1CCN(C(C)CC)CC1
InChIInChI=1S/C15H33N3O/c1-4-15(3)18-12-10-17(11-13-18)9-8-16-7-6-14-19-5-2/h15-16H,4-14H2,1-3H3
InChIKeyIGGPQQVFOFAVDY-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds10

About N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 62773502) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
PubChem CID62773502
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCN1CCN(C(C)CC)CC1
InChIInChI=1S/C15H33N3O/c1-4-15(3)18-12-10-17(11-13-18)9-8-16-7-6-14-19-5-2/h15-16H,4-14H2,1-3H3
InChIKeyIGGPQQVFOFAVDY-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
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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Related Compounds

3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62773682
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62773504
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 62775059
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619835
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine (CID 62773502) is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNCCN1CCN(C(C)CC)CC1.
What is the InChIKey of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is IGGPQQVFOFAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-15(3)18-12-10-17(11-13-18)9-8-16-7-6-14-19-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine?
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 62773502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).