(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C19H34N2 — CID 138578286

IUPAC(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC1CC2CC(C)CC(CN3C[C@H]4CC(N)C[C@H]4C3)(C1)C2
InChIInChI=1S/C19H34N2/c1-13-3-15-4-14(2)8-19(7-13,9-15)12-21-10-16-5-18(20)6-17(16)11-21/h13-18H,3-12,20H2,1-2H3/t13?,14?,15?,16-,17+,18?,19?
InChIKeyIDRNAJZHPFQLFJ-YFEGBAJISA-N
MW290.49 g/mol
LogP3.51
Rot. Bonds2

About (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 138578286) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID138578286
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC1CC2CC(C)CC(CN3C[C@H]4CC(N)C[C@H]4C3)(C1)C2
InChIInChI=1S/C19H34N2/c1-13-3-15-4-14(2)8-19(7-13,9-15)12-21-10-16-5-18(20)6-17(16)11-21/h13-18H,3-12,20H2,1-2H3/t13?,14?,15?,16-,17+,18?,19?
InChIKeyIDRNAJZHPFQLFJ-YFEGBAJISA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 138578286) is (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CC1CC2CC(C)CC(CN3C[C@H]4CC(N)C[C@H]4C3)(C1)C2.
What is the InChIKey of (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is IDRNAJZHPFQLFJ-YFEGBAJISA-N. The full InChI is InChI=1S/C19H34N2/c1-13-3-15-4-14(2)8-19(7-13,9-15)12-21-10-16-5-18(20)6-17(16)11-21/h13-18H,3-12,20H2,1-2H3/t13?,14?,15?,16-,17+,18?,19?.
What are the key properties of (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 290.49 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 138578286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).