N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine

C39H90N12 — CID 90722711

About N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine

N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine (PubChem CID 90722711) has the molecular formula C39H90N12 and a molecular weight of 727.23 g/mol. Its IUPAC name is N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

• Compound Name: N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine
• PubChem CID: 90722711
• Molecular Formula: C39H90N12
• Molecular Weight: 727.23 g/mol
• Exact Mass: 726.74
• IUPAC Name: N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine
• SMILES: CNCCCCN1CCCCC1.CNCCCN1CCNCC1.NCCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCNCC1
• InChI: InChI=1S/C10H22N2.C8H19N3.C8H18N2.C7H16N2.C6H15N3/c1-11-7-3-6-10-12-8-4-2-5-9-12;1-9-3-2-6-11-7-4-10-5-8-11;9-5-4-8-10-6-2-1-3-7-10;8-4-7-9-5-2-1-3-6-9;7-1-4-9-5-2-8-3-6-9/h11H,2-10H2,1H3;9-10H,2-8H2,1H3;1-9H2;1-8H2;8H,1-7H2
• InChIKey: ZXSYYVBACJSZJN-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 142.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	727.23
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine?

The IUPAC name of N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine (CID 90722711) is N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine.

What is the SMILES notation for N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine?

The canonical SMILES for N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine is CNCCCCN1CCCCC1.CNCCCN1CCNCC1.NCCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCNCC1.

What is the InChIKey of N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine?

The InChIKey is ZXSYYVBACJSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C8H19N3.C8H18N2.C7H16N2.C6H15N3/c1-11-7-3-6-10-12-8-4-2-5-9-12;1-9-3-2-6-11-7-4-10-5-8-11;9-5-4-8-10-6-2-1-3-7-10;8-4-7-9-5-2-1-3-6-9;7-1-4-9-5-2-8-3-6-9/h11H,2-10H2,1H3;9-10H,2-8H2,1H3;1-9H2;1-8H2;8H,1-7H2.

What are the key properties of N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine?

N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine has a molecular weight of 727.23 g/mol, XLogP of 1.08, 16 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 90722711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).