4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine

C14H31N3 — CID 62772464

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCN1CCN(C(C)CC)CC1
InChIInChI=1S/C14H31N3/c1-5-14(4)17-11-9-16(10-12-17)8-7-13(3)15-6-2/h13-15H,5-12H2,1-4H3
InChIKeyJDWCMTAWVSQIEC-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

About 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine

4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine (PubChem CID 62772464) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine
PubChem CID62772464
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCN1CCN(C(C)CC)CC1
InChIInChI=1S/C14H31N3/c1-5-14(4)17-11-9-16(10-12-17)8-7-13(3)15-6-2/h13-15H,5-12H2,1-4H3
InChIKeyJDWCMTAWVSQIEC-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine with MolForge

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Related Compounds

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
N-ethyl-4-(4-propylpiperazin-1-yl)pentan-2-amine
CID 64707567
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
N-ethyl-4-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987293
4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine
CID 65281071
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62773504
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62773682

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine (CID 62772464) is 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine is CCNC(C)CCN1CCN(C(C)CC)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine?
The InChIKey is JDWCMTAWVSQIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-14(4)17-11-9-16(10-12-17)8-7-13(3)15-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine?
4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 62772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).