[3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine

C10H22N4 — CID 105451790

IUPAC[3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CCN(C2(CN)CCNC2)CC1
InChIInChI=1S/C10H22N4/c1-13-4-6-14(7-5-13)10(8-11)2-3-12-9-10/h12H,2-9,11H2,1H3
InChIKeyDTASRBXSHSZQNZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP-1.08
Rot. Bonds2

About [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine

[3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 105451790) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID105451790
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name[3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CCN(C2(CN)CCNC2)CC1
InChIInChI=1S/C10H22N4/c1-13-4-6-14(7-5-13)10(8-11)2-3-12-9-10/h12H,2-9,11H2,1H3
InChIKeyDTASRBXSHSZQNZ-UHFFFAOYSA-N
XLogP-1.08
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine (CID 105451790) is [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine is CN1CCN(C2(CN)CCNC2)CC1.
What is the InChIKey of [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is DTASRBXSHSZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-13-4-6-14(7-5-13)10(8-11)2-3-12-9-10/h12H,2-9,11H2,1H3.
What are the key properties of [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
[3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 105451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).