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

C13H29N3 — CID 62774213

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCN(C(C)CC)CC1)NC
InChIInChI=1S/C13H29N3/c1-5-12(3)16-9-7-15(8-10-16)11-13(6-2)14-4/h12-14H,5-11H2,1-4H3
InChIKeyVPRBHCJIUFQLQQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds6

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

1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine (PubChem CID 62774213) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
PubChem CID62774213
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCN(C(C)CC)CC1)NC
InChIInChI=1S/C13H29N3/c1-5-12(3)16-9-7-15(8-10-16)11-13(6-2)14-4/h12-14H,5-11H2,1-4H3
InChIKeyVPRBHCJIUFQLQQ-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine (CID 62774213) is 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine is CCC(CN1CCN(C(C)CC)CC1)NC.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine?
The InChIKey is VPRBHCJIUFQLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-12(3)16-9-7-15(8-10-16)11-13(6-2)14-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 62774213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).