(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C16H30N4 — CID 70755438

IUPAC(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2c(C)nn(C)c2C)C[C@H]1N(C)C
InChIInChI=1S/C16H30N4/c1-7-8-14-9-20(11-16(14)18(4)5)10-15-12(2)17-19(6)13(15)3/h14,16H,7-11H2,1-6H3/t14-,16-/m1/s1
InChIKeySGAGSJCBCSWBAD-GDBMZVCRSA-N
MW278.44 g/mol
LogP2.20
Rot. Bonds5

About (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 70755438) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID70755438
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2c(C)nn(C)c2C)C[C@H]1N(C)C
InChIInChI=1S/C16H30N4/c1-7-8-14-9-20(11-16(14)18(4)5)10-15-12(2)17-19(6)13(15)3/h14,16H,7-11H2,1-6H3/t14-,16-/m1/s1
InChIKeySGAGSJCBCSWBAD-GDBMZVCRSA-N
XLogP2.20
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 70755438) is (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is CCC[C@@H]1CN(Cc2c(C)nn(C)c2C)C[C@H]1N(C)C.
What is the InChIKey of (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is SGAGSJCBCSWBAD-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-8-14-9-20(11-16(14)18(4)5)10-15-12(2)17-19(6)13(15)3/h14,16H,7-11H2,1-6H3/t14-,16-/m1/s1.
What are the key properties of (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 70755438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).