1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine

C12H23N3 — CID 84734404

IUPAC1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine
SMILESCN1CCN(C(C2CC2)C2(N)CC2)CC1
InChIInChI=1S/C12H23N3/c1-14-6-8-15(9-7-14)11(10-2-3-10)12(13)4-5-12/h10-11H,2-9,13H2,1H3
InChIKeyKNXZOQPIRYRTRO-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.50
Rot. Bonds3

About 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine

1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine (PubChem CID 84734404) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine
PubChem CID84734404
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine
SMILESCN1CCN(C(C2CC2)C2(N)CC2)CC1
InChIInChI=1S/C12H23N3/c1-14-6-8-15(9-7-14)11(10-2-3-10)12(13)4-5-12/h10-11H,2-9,13H2,1H3
InChIKeyKNXZOQPIRYRTRO-UHFFFAOYSA-N
XLogP0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine (CID 84734404) is 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine is CN1CCN(C(C2CC2)C2(N)CC2)CC1.
What is the InChIKey of 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine?
The InChIKey is KNXZOQPIRYRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-6-8-15(9-7-14)11(10-2-3-10)12(13)4-5-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine?
1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84734404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).