(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine

C15H30N2 — CID 146798043

IUPAC(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
SMILESCC(C)(C)NC1CC[C@@H]2[C@H]1CCN2C(C)(C)C
InChIInChI=1S/C15H30N2/c1-14(2,3)16-12-7-8-13-11(12)9-10-17(13)15(4,5)6/h11-13,16H,7-10H2,1-6H3/t11-,12?,13+/m0/s1
InChIKeyRXGJIEBSXXCMEU-IAMFDIQRSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds1

About (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine

(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine (PubChem CID 146798043) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine.

Molecular Properties

Compound Name(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
PubChem CID146798043
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
SMILESCC(C)(C)NC1CC[C@@H]2[C@H]1CCN2C(C)(C)C
InChIInChI=1S/C15H30N2/c1-14(2,3)16-12-7-8-13-11(12)9-10-17(13)15(4,5)6/h11-13,16H,7-10H2,1-6H3/t11-,12?,13+/m0/s1
InChIKeyRXGJIEBSXXCMEU-IAMFDIQRSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
The IUPAC name of (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine (CID 146798043) is (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine.
What is the SMILES notation for (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
The canonical SMILES for (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine is CC(C)(C)NC1CC[C@@H]2[C@H]1CCN2C(C)(C)C.
What is the InChIKey of (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
The InChIKey is RXGJIEBSXXCMEU-IAMFDIQRSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)16-12-7-8-13-11(12)9-10-17(13)15(4,5)6/h11-13,16H,7-10H2,1-6H3/t11-,12?,13+/m0/s1.
What are the key properties of (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine is sourced from PubChem (CID 146798043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).