3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine

C14H31N3 — CID 63619642

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCCC1CN(C(C)CCNC(C)C)CCN1C
InChIInChI=1S/C14H31N3/c1-6-14-11-17(10-9-16(14)5)13(4)7-8-15-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyUCTSCOCHYIIJPF-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine

3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 63619642) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID63619642
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCCC1CN(C(C)CCNC(C)C)CCN1C
InChIInChI=1S/C14H31N3/c1-6-14-11-17(10-9-16(14)5)13(4)7-8-15-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyUCTSCOCHYIIJPF-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
CID 63620150
N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63621875
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
CID 82980555
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64790195
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64726134

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine (CID 63619642) is 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine is CCC1CN(C(C)CCNC(C)C)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is UCTSCOCHYIIJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-14-11-17(10-9-16(14)5)13(4)7-8-15-12(2)3/h12-15H,6-11H2,1-5H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine?
3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 63619642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).