2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine

C14H30N2O2 — CID 103532489

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)N1CC(OC)C(OC)C1
InChIInChI=1S/C14H30N2O2/c1-6-8-15-12(7-2)11(3)16-9-13(17-4)14(10-16)18-5/h11-15H,6-10H2,1-5H3
InChIKeyOEBCEKKYNPOCTJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds8

About 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine (PubChem CID 103532489) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine
PubChem CID103532489
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)N1CC(OC)C(OC)C1
InChIInChI=1S/C14H30N2O2/c1-6-8-15-12(7-2)11(3)16-9-13(17-4)14(10-16)18-5/h11-15H,6-10H2,1-5H3
InChIKeyOEBCEKKYNPOCTJ-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
CID 103532491
N-propyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-3-amine
CID 102743435
2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine
CID 103539835
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
CID 102965543
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
CID 103539948
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 103534521
2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992954
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116715914

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine (CID 103532489) is 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine is CCCNC(CC)C(C)N1CC(OC)C(OC)C1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine?
The InChIKey is OEBCEKKYNPOCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-8-15-12(7-2)11(3)16-9-13(17-4)14(10-16)18-5/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 103532489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).