(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C15H28N2 — CID 142563547

IUPAC(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCNC1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1
InChIInChI=1S/C15H28N2/c1-16-15-7-13-10-17(11-14(13)8-15)9-12-5-3-2-4-6-12/h12-16H,2-11H2,1H3/t13-,14+,15?
InChIKeyMCXIKLJJBCIAGX-YIONKMFJSA-N
MW236.40 g/mol
LogP2.50
Rot. Bonds3

About (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 142563547) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID142563547
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCNC1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1
InChIInChI=1S/C15H28N2/c1-16-15-7-13-10-17(11-14(13)8-15)9-12-5-3-2-4-6-12/h12-16H,2-11H2,1H3/t13-,14+,15?
InChIKeyMCXIKLJJBCIAGX-YIONKMFJSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
N-cyclohexyl-1-(cyclopentylmethyl)-5-methylpiperidin-3-amine
CID 83999504
1-(cyclohexylmethyl)-N-cyclopropyl-5-methylpiperidin-3-amine
CID 83991902
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
1-(cyclopentylmethyl)-N-cyclopropyl-5-methylpiperidin-3-amine
CID 83991895
2-(cyclohexylmethyl)-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 155876673
(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565924
6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 176841382
4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 155331377

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 142563547) is (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CNC1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is MCXIKLJJBCIAGX-YIONKMFJSA-N. The full InChI is InChI=1S/C15H28N2/c1-16-15-7-13-10-17(11-14(13)8-15)9-12-5-3-2-4-6-12/h12-16H,2-11H2,1H3/t13-,14+,15?.
What are the key properties of (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 236.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 142563547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).