3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine

C11H26N4 — CID 54186119

IUPAC3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine
SMILESCC1(CCCN)CNCCN1CCCN
InChIInChI=1S/C11H26N4/c1-11(4-2-5-12)10-14-7-9-15(11)8-3-6-13/h14H,2-10,12-13H2,1H3
InChIKeyPFFMNVOHUUVJIN-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.26
Rot. Bonds6

About 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine

3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine (PubChem CID 54186119) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine
PubChem CID54186119
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine
SMILESCC1(CCCN)CNCCN1CCCN
InChIInChI=1S/C11H26N4/c1-11(4-2-5-12)10-14-7-9-15(11)8-3-6-13/h14H,2-10,12-13H2,1H3
InChIKeyPFFMNVOHUUVJIN-UHFFFAOYSA-N
XLogP-0.26
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine (CID 54186119) is 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine is CC1(CCCN)CNCCN1CCCN.
What is the InChIKey of 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine?
The InChIKey is PFFMNVOHUUVJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-11(4-2-5-12)10-14-7-9-15(11)8-3-6-13/h14H,2-10,12-13H2,1H3.
What are the key properties of 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine?
3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine has a molecular weight of 214.36 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-2-methylpiperazin-2-yl]propan-1-amine is sourced from PubChem (CID 54186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).