3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine

C49H115N17 — CID 158134153

About 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine

3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 158134153) has the molecular formula C49H115N17 and a molecular weight of 942.58 g/mol. Its IUPAC name is 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

• Compound Name: 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine
• PubChem CID: 158134153
• Molecular Formula: C49H115N17
• Molecular Weight: 942.58 g/mol
• Exact Mass: 941.95
• IUPAC Name: 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine
• SMILES: CC(CN)CN1CCN(CC(C)CN)CC1.CC(N)CCN1CCN(CCCN)CC1.CC(N)CN1CCN(C)CC1.CCC(N)CN1CCN(C)CC1.CCN1CCN(CC(C)N)CC1
• InChI: InChI=1S/C12H28N4.C11H26N4.2C9H21N3.C8H19N3/c1-11(7-13)9-15-3-5-16(6-4-15)10-12(2)8-14;1-11(13)3-6-15-9-7-14(8-10-15)5-2-4-12;1-3-9(10)8-12-6-4-11(2)5-7-12;1-3-11-4-6-12(7-5-11)8-9(2)10;1-8(9)7-11-5-3-10(2)4-6-11/h11-12H,3-10,13-14H2,1-2H3;11H,2-10,12-13H2,1H3;2*9H,3-8,10H2,1-2H3;8H,3-7,9H2,1-2H3
• InChIKey: FTDHCPCYMGJJPF-UHFFFAOYSA-N
• XLogP: -0.99
• TPSA: 214.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	942.58
LogP ≤ 5	-0.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine?

The IUPAC name of 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine (CID 158134153) is 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine.

What is the SMILES notation for 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine?

The canonical SMILES for 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine is CC(CN)CN1CCN(CC(C)CN)CC1.CC(N)CCN1CCN(CCCN)CC1.CC(N)CN1CCN(C)CC1.CCC(N)CN1CCN(C)CC1.CCN1CCN(CC(C)N)CC1.

What is the InChIKey of 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine?

The InChIKey is FTDHCPCYMGJJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.C11H26N4.2C9H21N3.C8H19N3/c1-11(7-13)9-15-3-5-16(6-4-15)10-12(2)8-14;1-11(13)3-6-15-9-7-14(8-10-15)5-2-4-12;1-3-9(10)8-12-6-4-11(2)5-7-12;1-3-11-4-6-12(7-5-11)8-9(2)10;1-8(9)7-11-5-3-10(2)4-6-11/h11-12H,3-10,13-14H2,1-2H3;11H,2-10,12-13H2,1H3;2*9H,3-8,10H2,1-2H3;8H,3-7,9H2,1-2H3.

What are the key properties of 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine?

3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 942.58 g/mol, XLogP of -0.99, 20 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 158134153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).