N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine

C12H26N2O — CID 130443361

IUPACN-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCC1CNCC1C
InChIInChI=1S/C12H26N2O/c1-3-5-13-6-8-15-7-4-12-10-14-9-11(12)2/h11-14H,3-10H2,1-2H3
InChIKeyRSCGZRANJUTZKZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.25
Rot. Bonds8

About N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine

N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine (PubChem CID 130443361) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine
PubChem CID130443361
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCC1CNCC1C
InChIInChI=1S/C12H26N2O/c1-3-5-13-6-8-15-7-4-12-10-14-9-11(12)2/h11-14H,3-10H2,1-2H3
InChIKeyRSCGZRANJUTZKZ-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-4-propylpyrrolidine
CID 166487820
(4S)-3-methyl-4-nonylpyrrolidine
CID 118011662
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CID 106206265
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
4-[2-(propylamino)ethoxy]butan-1-ol
CID 106937948
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine (CID 130443361) is N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine is CCCNCCOCCC1CNCC1C.
What is the InChIKey of N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine?
The InChIKey is RSCGZRANJUTZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-5-13-6-8-15-7-4-12-10-14-9-11(12)2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 130443361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).