N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine

C16H25N3 — CID 67065292

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCN1CCN(CCNC2CC2c2ccccc2)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)8-7-17-16-13-15(16)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3
InChIKeySJOWBHOBWMBQHM-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 67065292) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
PubChem CID67065292
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCN1CCN(CCNC2CC2c2ccccc2)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)8-7-17-16-13-15(16)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3
InChIKeySJOWBHOBWMBQHM-UHFFFAOYSA-N
XLogP1.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine (CID 67065292) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine is CN1CCN(CCNC2CC2c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is SJOWBHOBWMBQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)8-7-17-16-13-15(16)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 67065292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).