2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine

C16H29N — CID 59390095

IUPAC2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine
SMILESCC1=C(C2CCCN2C)C(C(C)C)CC[C@H]1C
InChIInChI=1S/C16H29N/c1-11(2)14-9-8-12(3)13(4)16(14)15-7-6-10-17(15)5/h11-12,14-15H,6-10H2,1-5H3/t12-,14?,15?/m1/s1
InChIKeyWMEFQQRHCFVRBQ-LRVUVFPRSA-N
MW235.41 g/mol
LogP4.10
Rot. Bonds2

About 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine

2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine (PubChem CID 59390095) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine
PubChem CID59390095
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine
SMILESCC1=C(C2CCCN2C)C(C(C)C)CC[C@H]1C
InChIInChI=1S/C16H29N/c1-11(2)14-9-8-12(3)13(4)16(14)15-7-6-10-17(15)5/h11-12,14-15H,6-10H2,1-5H3/t12-,14?,15?/m1/s1
InChIKeyWMEFQQRHCFVRBQ-LRVUVFPRSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine?
The IUPAC name of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine (CID 59390095) is 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine is CC1=C(C2CCCN2C)C(C(C)C)CC[C@H]1C.
What is the InChIKey of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine?
The InChIKey is WMEFQQRHCFVRBQ-LRVUVFPRSA-N. The full InChI is InChI=1S/C16H29N/c1-11(2)14-9-8-12(3)13(4)16(14)15-7-6-10-17(15)5/h11-12,14-15H,6-10H2,1-5H3/t12-,14?,15?/m1/s1.
What are the key properties of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine?
2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine has a molecular weight of 235.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine is sourced from PubChem (CID 59390095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).