(3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine

C14H24N4 — CID 72894110

IUPAC(3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
SMILESCc1nccnc1N1C[C@H](C(C)C)[C@@H](N(C)C)C1
InChIInChI=1S/C14H24N4/c1-10(2)12-8-18(9-13(12)17(4)5)14-11(3)15-6-7-16-14/h6-7,10,12-13H,8-9H2,1-5H3/t12-,13+/m1/s1
InChIKeyMNXZVQTWXQJKTC-OLZOCXBDSA-N
MW248.37 g/mol
LogP1.81
Rot. Bonds3

About (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine

(3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 72894110) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
PubChem CID72894110
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
SMILESCc1nccnc1N1C[C@H](C(C)C)[C@@H](N(C)C)C1
InChIInChI=1S/C14H24N4/c1-10(2)12-8-18(9-13(12)17(4)5)14-11(3)15-6-7-16-14/h6-7,10,12-13H,8-9H2,1-5H3/t12-,13+/m1/s1
InChIKeyMNXZVQTWXQJKTC-OLZOCXBDSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine (CID 72894110) is (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine is Cc1nccnc1N1C[C@H](C(C)C)[C@@H](N(C)C)C1.
What is the InChIKey of (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is MNXZVQTWXQJKTC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)12-8-18(9-13(12)17(4)5)14-11(3)15-6-7-16-14/h6-7,10,12-13H,8-9H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
(3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,N-dimethyl-1-(3-methylpyrazin-2-yl)-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 72894110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).