2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine

C13H29N3 — CID 63605604

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine
SMILESCCN1CCN(C(C)(CN)C(C)C)CC1C
InChIInChI=1S/C13H29N3/c1-6-15-7-8-16(9-12(15)4)13(5,10-14)11(2)3/h11-12H,6-10,14H2,1-5H3
InChIKeyYZPISJZEOQYEQH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine

2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine (PubChem CID 63605604) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine
PubChem CID63605604
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine
SMILESCCN1CCN(C(C)(CN)C(C)C)CC1C
InChIInChI=1S/C13H29N3/c1-6-15-7-8-16(9-12(15)4)13(5,10-14)11(2)3/h11-12H,6-10,14H2,1-5H3
InChIKeyYZPISJZEOQYEQH-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63610457
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
CID 79174956
2-(2-ethylmorpholin-4-yl)-2,3-dimethylbutan-1-amine
CID 61353367
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
CID 103152536
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985244
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519
2,3-dimethyl-2-(3-methylmorpholin-4-yl)butan-1-amine
CID 61353365
2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66181213

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine (CID 63605604) is 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine is CCN1CCN(C(C)(CN)C(C)C)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is YZPISJZEOQYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-15-7-8-16(9-12(15)4)13(5,10-14)11(2)3/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine?
2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 63605604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).