2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine

C14H31N3 — CID 55117502

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
SMILESCCC(C)N1CCN(C(CN)CC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-13(4)16-6-8-17(9-7-16)14(11-15)10-12(2)3/h12-14H,5-11,15H2,1-4H3
InChIKeyNTLKXZZNMDQTTB-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds6

About 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine (PubChem CID 55117502) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
PubChem CID55117502
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
SMILESCCC(C)N1CCN(C(CN)CC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-13(4)16-6-8-17(9-7-16)14(11-15)10-12(2)3/h12-14H,5-11,15H2,1-4H3
InChIKeyNTLKXZZNMDQTTB-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine (CID 55117502) is 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine is CCC(C)N1CCN(C(CN)CC(C)C)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine?
The InChIKey is NTLKXZZNMDQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-13(4)16-6-8-17(9-7-16)14(11-15)10-12(2)3/h12-14H,5-11,15H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 55117502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).