(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine

C18H32N2 — CID 10707626

IUPAC(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CN(C2CCCCC2)[C@H](C)[C@@H]1NC1CCCCC1
InChIInChI=1S/C18H32N2/c1-14-13-20(17-11-7-4-8-12-17)15(2)18(14)19-16-9-5-3-6-10-16/h15-19H,1,3-13H2,2H3/t15-,18-/m1/s1
InChIKeyMTJYFGXPHCMMTR-CRAIPNDOSA-N
MW276.47 g/mol
LogP3.87
Rot. Bonds3

About (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine

(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine (PubChem CID 10707626) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine
PubChem CID10707626
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CN(C2CCCCC2)[C@H](C)[C@@H]1NC1CCCCC1
InChIInChI=1S/C18H32N2/c1-14-13-20(17-11-7-4-8-12-17)15(2)18(14)19-16-9-5-3-6-10-16/h15-19H,1,3-13H2,2H3/t15-,18-/m1/s1
InChIKeyMTJYFGXPHCMMTR-CRAIPNDOSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The IUPAC name of (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine (CID 10707626) is (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine is C=C1CN(C2CCCCC2)[C@H](C)[C@@H]1NC1CCCCC1.
What is the InChIKey of (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The InChIKey is MTJYFGXPHCMMTR-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H32N2/c1-14-13-20(17-11-7-4-8-12-17)15(2)18(14)19-16-9-5-3-6-10-16/h15-19H,1,3-13H2,2H3/t15-,18-/m1/s1.
What are the key properties of (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine has a molecular weight of 276.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 10707626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).