4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

C16H35N3 — CID 64939113

IUPAC4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCCC(C)C1CN(CCCCN(C)C)C(CC)CN1
InChIInChI=1S/C16H35N3/c1-6-14(3)16-13-19(15(7-2)12-17-16)11-9-8-10-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyBHZWMGWPHNSXBJ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 64939113) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID64939113
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCCC(C)C1CN(CCCCN(C)C)C(CC)CN1
InChIInChI=1S/C16H35N3/c1-6-14(3)16-13-19(15(7-2)12-17-16)11-9-8-10-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyBHZWMGWPHNSXBJ-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936336
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847451
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935199
5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294228
5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469740
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64938534
1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 114210392
1-[2-(5-bromothiophen-2-yl)ethyl]-5-butan-2-yl-2-ethylpiperazine
CID 106043969
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314

Frequently Asked Questions

What is the IUPAC name of 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (CID 64939113) is 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is CCC(C)C1CN(CCCCN(C)C)C(CC)CN1.
What is the InChIKey of 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is BHZWMGWPHNSXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-14(3)16-13-19(15(7-2)12-17-16)11-9-8-10-18(4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 64939113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).