3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine

C15H33N3 — CID 62778147

IUPAC3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
SMILESCCCC(N)C(CC)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-7-14(16)15(6-2)18-10-8-17(9-11-18)12-13(3)4/h13-15H,5-12,16H2,1-4H3
InChIKeyOVQQOYJURGUSDO-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds7

About 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine

3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine (PubChem CID 62778147) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
PubChem CID62778147
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
SMILESCCCC(N)C(CC)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-7-14(16)15(6-2)18-10-8-17(9-11-18)12-13(3)4/h13-15H,5-12,16H2,1-4H3
InChIKeyOVQQOYJURGUSDO-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
The IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine (CID 62778147) is 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine is CCCC(N)C(CC)N1CCN(CC(C)C)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
The InChIKey is OVQQOYJURGUSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-7-14(16)15(6-2)18-10-8-17(9-11-18)12-13(3)4/h13-15H,5-12,16H2,1-4H3.
What are the key properties of 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine?
3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine is sourced from PubChem (CID 62778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).