1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine

C9H20N2O — CID 43315586

IUPAC1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CCCOC)C1
InChIInChI=1S/C9H20N2O/c1-10-9-4-6-11(8-9)5-3-7-12-2/h9-10H,3-8H2,1-2H3
InChIKeyATKBSXFJHLVNBR-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

About 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine

1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine (PubChem CID 43315586) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
PubChem CID43315586
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CCCOC)C1
InChIInChI=1S/C9H20N2O/c1-10-9-4-6-11(8-9)5-3-7-12-2/h9-10H,3-8H2,1-2H3
InChIKeyATKBSXFJHLVNBR-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
CID 106039993
1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
CID 103177262
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
4-(3-methoxypropyl)-N-methylmorpholin-2-amine;hydrochloride
CID 175032974
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine
CID 117026993
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
CID 166168128
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
methyl (3R,4R)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
CID 129492975

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine (CID 43315586) is 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine is CNC1CCN(CCCOC)C1.
What is the InChIKey of 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
The InChIKey is ATKBSXFJHLVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-9-4-6-11(8-9)5-3-7-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine?
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 43315586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).