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

C14H31N3 — CID 55216953

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CN1CCN(CC)C(C)C1
InChIInChI=1S/C14H31N3/c1-5-8-15-14(6-2)12-16-9-10-17(7-3)13(4)11-16/h13-15H,5-12H2,1-4H3
InChIKeyMVHZJQQFHFZVBS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

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

1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine (PubChem CID 55216953) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
PubChem CID55216953
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CN1CCN(CC)C(C)C1
InChIInChI=1S/C14H31N3/c1-5-8-15-14(6-2)12-16-9-10-17(7-3)13(4)11-16/h13-15H,5-12H2,1-4H3
InChIKeyMVHZJQQFHFZVBS-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

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Related Compounds

6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
CID 106799849
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
CID 63635414
2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635760
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
1-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutan-2-amine
CID 62989010
1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 112561665
N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine
CID 81465085
2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635758
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
6-(2-methylpiperidin-1-yl)-N-propylhexan-3-amine
CID 106799179
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile
CID 63635579
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
CID 63604012

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine (CID 55216953) is 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine is CCCNC(CC)CN1CCN(CC)C(C)C1.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine?
The InChIKey is MVHZJQQFHFZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-8-15-14(6-2)12-16-9-10-17(7-3)13(4)11-16/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine?
1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-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 1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 55216953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).