N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine

C12H26N2O — CID 61215107

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1CC(OC)CN1
InChIInChI=1S/C12H26N2O/c1-4-6-14(7-5-2)10-11-8-12(15-3)9-13-11/h11-13H,4-10H2,1-3H3
InChIKeyLMFKKIQIJHHNCQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine

N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine (PubChem CID 61215107) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
PubChem CID61215107
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1CC(OC)CN1
InChIInChI=1S/C12H26N2O/c1-4-6-14(7-5-2)10-11-8-12(15-3)9-13-11/h11-13H,4-10H2,1-3H3
InChIKeyLMFKKIQIJHHNCQ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870140
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
CID 118498498
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 79864052
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
CID 55002787
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
5-[(dibutylamino)methyl]pyrrolidin-3-ol
CID 66056350

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine (CID 61215107) is N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine is CCCN(CCC)CC1CC(OC)CN1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine?
The InChIKey is LMFKKIQIJHHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-14(7-5-2)10-11-8-12(15-3)9-13-11/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 61215107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).