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

C18H27N3 — CID 62413117

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H27N3/c1-2-4-15(5-3-1)18(14-19-16-6-7-16)21-12-10-20(11-13-21)17-8-9-17/h1-5,16-19H,6-14H2
InChIKeyZYZAHGWDDYBKCF-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.26
Rot. Bonds6

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

N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine (PubChem CID 62413117) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine
PubChem CID62413117
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H27N3/c1-2-4-15(5-3-1)18(14-19-16-6-7-16)21-12-10-20(11-13-21)17-8-9-17/h1-5,16-19H,6-14H2
InChIKeyZYZAHGWDDYBKCF-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
CID 62430463
N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
CID 63626845
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
CID 62411356
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
N-[2-(3-methylmorpholin-4-yl)-2-phenylethyl]cyclopropanamine
CID 55074560
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529
N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 141139435
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine (CID 62413117) is N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine is c1ccc(C(CNC2CC2)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine?
The InChIKey is ZYZAHGWDDYBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-4-15(5-3-1)18(14-19-16-6-7-16)21-12-10-20(11-13-21)17-8-9-17/h1-5,16-19H,6-14H2.
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine?
N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 2.26, 6 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)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 62413117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).