1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine

C16H32N4 — CID 62981445

IUPAC1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine
SMILESCN1CCN(C(C)(C)CNC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-16(2,20-10-8-18(3)9-11-20)13-17-14-6-7-19(12-14)15-4-5-15/h14-15,17H,4-13H2,1-3H3
InChIKeyAREBBMKKTHSBKT-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.84
Rot. Bonds5

About 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine

1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine (PubChem CID 62981445) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine
PubChem CID62981445
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine
SMILESCN1CCN(C(C)(C)CNC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-16(2,20-10-8-18(3)9-11-20)13-17-14-6-7-19(12-14)15-4-5-15/h14-15,17H,4-13H2,1-3H3
InChIKeyAREBBMKKTHSBKT-UHFFFAOYSA-N
XLogP0.84
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine (CID 62981445) is 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine is CN1CCN(C(C)(C)CNC2CCN(C3CC3)C2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine?
The InChIKey is AREBBMKKTHSBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-16(2,20-10-8-18(3)9-11-20)13-17-14-6-7-19(12-14)15-4-5-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine has a molecular weight of 280.46 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 62981445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).