N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

C16H27N3O2 — CID 103534521

IUPACN-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CC(OC)C(OC)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-5-8-17-12(2)14-7-6-13(9-18-14)19-10-15(20-3)16(11-19)21-4/h6-7,9,12,15-17H,5,8,10-11H2,1-4H3
InChIKeyGQVJNMVGKSFGSD-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.99
Rot. Bonds7

About N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 103534521) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID103534521
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CC(OC)C(OC)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-5-8-17-12(2)14-7-6-13(9-18-14)19-10-15(20-3)16(11-19)21-4/h6-7,9,12,15-17H,5,8,10-11H2,1-4H3
InChIKeyGQVJNMVGKSFGSD-UHFFFAOYSA-N
XLogP1.99
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 103534521) is N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CC(OC)C(OC)C2)cn1.
What is the InChIKey of N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is GQVJNMVGKSFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-8-17-12(2)14-7-6-13(9-18-14)19-10-15(20-3)16(11-19)21-4/h6-7,9,12,15-17H,5,8,10-11H2,1-4H3.
What are the key properties of N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 103534521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).