N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine

C18H26N2 — CID 115562211

IUPACN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)N2CC3CCCC3C2)cc1
InChIInChI=1S/C18H26N2/c1-2-5-14(6-3-1)18(11-19-17-9-10-17)20-12-15-7-4-8-16(15)13-20/h1-3,5-6,15-19H,4,7-13H2
InChIKeyQRKMTLISXLDNTR-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine (PubChem CID 115562211) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
PubChem CID115562211
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)N2CC3CCCC3C2)cc1
InChIInChI=1S/C18H26N2/c1-2-5-14(6-3-1)18(11-19-17-9-10-17)20-12-15-7-4-8-16(15)13-20/h1-3,5-6,15-19H,4,7-13H2
InChIKeyQRKMTLISXLDNTR-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine
CID 62413117
N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
CID 63626845
N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
CID 62430463
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-phenylpropanimidamide
CID 115560125
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pentyl]cyclopropanamine
CID 83053975
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
CID 115559024
N-[2-(3-methylmorpholin-4-yl)-2-phenylethyl]cyclopropanamine
CID 55074560
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropanoic acid
CID 63066913

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine (CID 115562211) is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine is c1ccc(C(CNC2CC2)N2CC3CCCC3C2)cc1.
What is the InChIKey of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine?
The InChIKey is QRKMTLISXLDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-5-14(6-3-1)18(11-19-17-9-10-17)20-12-15-7-4-8-16(15)13-20/h1-3,5-6,15-19H,4,7-13H2.
What are the key properties of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine?
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine has a molecular weight of 270.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 115562211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).