N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine

C16H27N3 — CID 79069276

IUPACN,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccc(C)nc1)N1CCCC1
InChIInChI=1S/C16H27N3/c1-5-16(3,19-10-6-7-11-19)15(17-4)14-9-8-13(2)18-12-14/h8-9,12,15,17H,5-7,10-11H2,1-4H3
InChIKeyMNPOIPGOHZZDOZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.92
Rot. Bonds5

About N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069276) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069276
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccc(C)nc1)N1CCCC1
InChIInChI=1S/C16H27N3/c1-5-16(3,19-10-6-7-11-19)15(17-4)14-9-8-13(2)18-12-14/h8-9,12,15,17H,5-7,10-11H2,1-4H3
InChIKeyMNPOIPGOHZZDOZ-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79069276) is N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)c1ccc(C)nc1)N1CCCC1.
What is the InChIKey of N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is MNPOIPGOHZZDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-16(3,19-10-6-7-11-19)15(17-4)14-9-8-13(2)18-12-14/h8-9,12,15,17H,5-7,10-11H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).