(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

C8H16N2 — CID 69172529

IUPAC(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESCN1C[C@H]2CCC[C@@]2(N)C1
InChIInChI=1S/C8H16N2/c1-10-5-7-3-2-4-8(7,9)6-10/h7H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyFBVJUUCWSQWKOM-HTQZYQBOSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds

About (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (PubChem CID 69172529) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
PubChem CID69172529
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESCN1C[C@H]2CCC[C@@]2(N)C1
InChIInChI=1S/C8H16N2/c1-10-5-7-3-2-4-8(7,9)6-10/h7H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyFBVJUUCWSQWKOM-HTQZYQBOSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The IUPAC name of (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (CID 69172529) is (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.
What is the SMILES notation for (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The canonical SMILES for (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is CN1C[C@H]2CCC[C@@]2(N)C1.
What is the InChIKey of (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The InChIKey is FBVJUUCWSQWKOM-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-5-7-3-2-4-8(7,9)6-10/h7H,2-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is sourced from PubChem (CID 69172529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).