3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine

C10H24N4 — CID 131674238

IUPAC3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine
SMILES[2H]C1([2H])N(CCCN)C([2H])([2H])C([2H])([2H])N(CCCN)C1([2H])[2H]
InChIInChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2/i7D2,8D2,9D2,10D2
InChIKeyXUSNPFGLKGCWGN-UFBJYANTSA-N
MW208.38 g/mol
LogP-0.70
Rot. Bonds6

About 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine

3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine (PubChem CID 131674238) has the molecular formula C10H24N4 and a molecular weight of 208.38 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine
PubChem CID131674238
Molecular FormulaC10H24N4
Molecular Weight208.38 g/mol
Exact Mass208.25
IUPAC Name3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine
SMILES[2H]C1([2H])N(CCCN)C([2H])([2H])C([2H])([2H])N(CCCN)C1([2H])[2H]
InChIInChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2/i7D2,8D2,9D2,10D2
InChIKeyXUSNPFGLKGCWGN-UFBJYANTSA-N
XLogP-0.70
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine with MolForge

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Related Compounds

3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
CID 137331813
3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
CID 121201628
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine
CID 84763751
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103531206
4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine (CID 131674238) is 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine is [2H]C1([2H])N(CCCN)C([2H])([2H])C([2H])([2H])N(CCCN)C1([2H])[2H].
What is the InChIKey of 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine?
The InChIKey is XUSNPFGLKGCWGN-UFBJYANTSA-N. The full InChI is InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2/i7D2,8D2,9D2,10D2.
What are the key properties of 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine?
3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine has a molecular weight of 208.38 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine is sourced from PubChem (CID 131674238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).