(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine

C13H22N4 — CID 90488127

IUPAC(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(Cc2ccncc2)C[C@H]1N
InChIInChI=1S/C13H22N4/c1-16(2)8-12-9-17(10-13(12)14)7-11-3-5-15-6-4-11/h3-6,12-13H,7-10,14H2,1-2H3/t12-,13-/m1/s1
InChIKeyHVGWFOOTPCTJCH-CHWSQXEVSA-N
MW234.35 g/mol
LogP0.40
Rot. Bonds4

About (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine

(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 90488127) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
PubChem CID90488127
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(Cc2ccncc2)C[C@H]1N
InChIInChI=1S/C13H22N4/c1-16(2)8-12-9-17(10-13(12)14)7-11-3-5-15-6-4-11/h3-6,12-13H,7-10,14H2,1-2H3/t12-,13-/m1/s1
InChIKeyHVGWFOOTPCTJCH-CHWSQXEVSA-N
XLogP0.40
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine (CID 90488127) is (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine is CN(C)C[C@@H]1CN(Cc2ccncc2)C[C@H]1N.
What is the InChIKey of (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is HVGWFOOTPCTJCH-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)8-12-9-17(10-13(12)14)7-11-3-5-15-6-4-11/h3-6,12-13H,7-10,14H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 90488127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).