N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine

C13H25N3 — CID 62411356

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3/c1-11(10-14-12-2-3-12)15-6-8-16(9-7-15)13-4-5-13/h11-14H,2-10H2,1H3
InChIKeyWJRULVBIRRMOSA-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.91
Rot. Bonds5

About N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine

N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine (PubChem CID 62411356) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
PubChem CID62411356
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3/c1-11(10-14-12-2-3-12)15-6-8-16(9-7-15)13-4-5-13/h11-14H,2-10H2,1H3
InChIKeyWJRULVBIRRMOSA-UHFFFAOYSA-N
XLogP0.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine (CID 62411356) is N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine is CC(CNC1CC1)N1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine?
The InChIKey is WJRULVBIRRMOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(10-14-12-2-3-12)15-6-8-16(9-7-15)13-4-5-13/h11-14H,2-10H2,1H3.
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine?
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine has a molecular weight of 223.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62411356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).