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

C16H30N2 — CID 113336166

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CC2CCCC2C1
InChIInChI=1S/C16H30N2/c1-2-17-16-9-4-3-6-15(16)12-18-10-13-7-5-8-14(13)11-18/h13-17H,2-12H2,1H3
InChIKeyQPPCJIPDGSVGGL-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds4

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine (PubChem CID 113336166) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
PubChem CID113336166
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CC2CCCC2C1
InChIInChI=1S/C16H30N2/c1-2-17-16-9-4-3-6-15(16)12-18-10-13-7-5-8-14(13)11-18/h13-17H,2-12H2,1H3
InChIKeyQPPCJIPDGSVGGL-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462
2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
1-[[2-(ethylamino)cyclopentyl]methyl]-3-methylpiperidin-4-ol
CID 114681897
1-[1-[[2-(ethylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629110
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
CID 55094514

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine (CID 113336166) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine is CCNC1CCCCC1CN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine?
The InChIKey is QPPCJIPDGSVGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-17-16-9-4-3-6-15(16)12-18-10-13-7-5-8-14(13)11-18/h13-17H,2-12H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 113336166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).