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

C19H30N2 — CID 115562272

IUPACN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C19H30N2/c1-19(2,3)20-12-18(15-8-5-4-6-9-15)21-13-16-10-7-11-17(16)14-21/h4-6,8-9,16-18,20H,7,10-14H2,1-3H3
InChIKeyMOELFLUPVMYHGX-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds4

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

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine (PubChem CID 115562272) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
PubChem CID115562272
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C19H30N2/c1-19(2,3)20-12-18(15-8-5-4-6-9-15)21-13-16-10-7-11-17(16)14-21/h4-6,8-9,16-18,20H,7,10-14H2,1-3H3
InChIKeyMOELFLUPVMYHGX-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
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]cyclopropanamine
CID 115562211
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine
CID 62417521
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 115562182
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-phenylpropanimidamide
CID 115560125
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
CID 115559024
N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
CID 79183761
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
CID 113335651
N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81350353
(4aS,7aS)-6-(1-phenylpropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678792

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]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine (CID 115562272) is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(c1ccccc1)N1CC2CCCC2C1.
What is the InChIKey of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine?
The InChIKey is MOELFLUPVMYHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2,3)20-12-18(15-8-5-4-6-9-15)21-13-16-10-7-11-17(16)14-21/h4-6,8-9,16-18,20H,7,10-14H2,1-3H3.
What are the key properties of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine?
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 4 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]-2-methylpropan-2-amine is sourced from PubChem (CID 115562272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).