N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine

C11H22N2 — CID 89432904

IUPACN,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine
SMILESC=C([C@@H]1C[C@H](C(C)C)CN1)N(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10-6-11(12-7-10)9(3)13(4)5/h8,10-12H,3,6-7H2,1-2,4-5H3/t10-,11-/m0/s1
InChIKeyNNUQTGCIUOTHFM-QWRGUYRKSA-N
MW182.31 g/mol
LogP1.70
Rot. Bonds3

About N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine

N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine (PubChem CID 89432904) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine
PubChem CID89432904
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine
SMILESC=C([C@@H]1C[C@H](C(C)C)CN1)N(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10-6-11(12-7-10)9(3)13(4)5/h8,10-12H,3,6-7H2,1-2,4-5H3/t10-,11-/m0/s1
InChIKeyNNUQTGCIUOTHFM-QWRGUYRKSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine?
The IUPAC name of N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine (CID 89432904) is N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine?
The canonical SMILES for N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine is C=C([C@@H]1C[C@H](C(C)C)CN1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine?
The InChIKey is NNUQTGCIUOTHFM-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)10-6-11(12-7-10)9(3)13(4)5/h8,10-12H,3,6-7H2,1-2,4-5H3/t10-,11-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine?
N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine has a molecular weight of 182.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]ethenamine is sourced from PubChem (CID 89432904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).