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

C10H16N2 — CID 131137595

IUPAC(3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESC#CCN1C[C@@H]2CCC(N)[C@@H]2C1
InChIInChI=1S/C10H16N2/c1-2-5-12-6-8-3-4-10(11)9(8)7-12/h1,8-10H,3-7,11H2/t8-,9+,10?/m0/s1
InChIKeyHDIOZHSNJNQROU-QIIDTADFSA-N
MW164.25 g/mol
LogP0.29
Rot. Bonds1

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

(3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 131137595) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID131137595
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESC#CCN1C[C@@H]2CCC(N)[C@@H]2C1
InChIInChI=1S/C10H16N2/c1-2-5-12-6-8-3-4-10(11)9(8)7-12/h1,8-10H,3-7,11H2/t8-,9+,10?/m0/s1
InChIKeyHDIOZHSNJNQROU-QIIDTADFSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 131137595) is (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is C#CCN1C[C@@H]2CCC(N)[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is HDIOZHSNJNQROU-QIIDTADFSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-5-12-6-8-3-4-10(11)9(8)7-12/h1,8-10H,3-7,11H2/t8-,9+,10?/m0/s1.
What are the key properties of (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 164.25 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-prop-2-ynyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 131137595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).