3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine

C16H39N7 — CID 70538404

IUPAC3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine
SMILESNCCCC1CNCCN1CCCN.NCCN1CCNCC1
InChIInChI=1S/C10H24N4.C6H15N3/c11-4-1-3-10-9-13-6-8-14(10)7-2-5-12;7-1-4-9-5-2-8-3-6-9/h10,13H,1-9,11-12H2;8H,1-7H2
InChIKeyQYIBXAFQIGYXBO-UHFFFAOYSA-N
MW329.54 g/mol
LogP-1.80
Rot. Bonds8

About 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine

3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine (PubChem CID 70538404) has the molecular formula C16H39N7 and a molecular weight of 329.54 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine
PubChem CID70538404
Molecular FormulaC16H39N7
Molecular Weight329.54 g/mol
Exact Mass329.33
IUPAC Name3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine
SMILESNCCCC1CNCCN1CCCN.NCCN1CCNCC1
InChIInChI=1S/C10H24N4.C6H15N3/c11-4-1-3-10-9-13-6-8-14(10)7-2-5-12;7-1-4-9-5-2-8-3-6-9/h10,13H,1-9,11-12H2;8H,1-7H2
InChIKeyQYIBXAFQIGYXBO-UHFFFAOYSA-N
XLogP-1.80
TPSA108.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine?
The IUPAC name of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine (CID 70538404) is 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine.
What is the SMILES notation for 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine?
The canonical SMILES for 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine is NCCCC1CNCCN1CCCN.NCCN1CCNCC1.
What is the InChIKey of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine?
The InChIKey is QYIBXAFQIGYXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.C6H15N3/c11-4-1-3-10-9-13-6-8-14(10)7-2-5-12;7-1-4-9-5-2-8-3-6-9/h10,13H,1-9,11-12H2;8H,1-7H2.
What are the key properties of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine?
3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine has a molecular weight of 329.54 g/mol, XLogP of -1.80, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine is sourced from PubChem (CID 70538404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).