N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine

C10H20N2 — CID 177059560

IUPACN-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine
SMILESC=C(NC)[C@@H]1CC(C)(C)CN1C
InChIInChI=1S/C10H20N2/c1-8(11-4)9-6-10(2,3)7-12(9)5/h9,11H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKeyDAWDFPRESSCGQR-VIFPVBQESA-N
MW168.28 g/mol
LogP1.45
Rot. Bonds2

About N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine

N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine (PubChem CID 177059560) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine
PubChem CID177059560
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine
SMILESC=C(NC)[C@@H]1CC(C)(C)CN1C
InChIInChI=1S/C10H20N2/c1-8(11-4)9-6-10(2,3)7-12(9)5/h9,11H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKeyDAWDFPRESSCGQR-VIFPVBQESA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine?
The IUPAC name of N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine (CID 177059560) is N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine?
The canonical SMILES for N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine is C=C(NC)[C@@H]1CC(C)(C)CN1C.
What is the InChIKey of N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine?
The InChIKey is DAWDFPRESSCGQR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2/c1-8(11-4)9-6-10(2,3)7-12(9)5/h9,11H,1,6-7H2,2-5H3/t9-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine?
N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine has a molecular weight of 168.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethenamine is sourced from PubChem (CID 177059560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).