N-ethyl-2-(3-propylazetidin-1-yl)ethanamine

C10H22N2 — CID 79677772

IUPACN-ethyl-2-(3-propylazetidin-1-yl)ethanamine
SMILESCCCC1CN(CCNCC)C1
InChIInChI=1S/C10H22N2/c1-3-5-10-8-12(9-10)7-6-11-4-2/h10-11H,3-9H2,1-2H3
InChIKeyLKHRRLPJSVYHHE-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds6

About N-ethyl-2-(3-propylazetidin-1-yl)ethanamine

N-ethyl-2-(3-propylazetidin-1-yl)ethanamine (PubChem CID 79677772) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-ethyl-2-(3-propylazetidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-propylazetidin-1-yl)ethanamine
PubChem CID79677772
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-ethyl-2-(3-propylazetidin-1-yl)ethanamine
SMILESCCCC1CN(CCNCC)C1
InChIInChI=1S/C10H22N2/c1-3-5-10-8-12(9-10)7-6-11-4-2/h10-11H,3-9H2,1-2H3
InChIKeyLKHRRLPJSVYHHE-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol
CID 11378791
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
CID 146606048
N-methyl-1,5-dipropylpiperidin-3-amine
CID 83989593
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
1-(2-aminoethyl)-N-ethyl-5-propylpiperidin-3-amine
CID 83990747
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propylazetidin-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-propylazetidin-1-yl)ethanamine (CID 79677772) is N-ethyl-2-(3-propylazetidin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-propylazetidin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-propylazetidin-1-yl)ethanamine is CCCC1CN(CCNCC)C1.
What is the InChIKey of N-ethyl-2-(3-propylazetidin-1-yl)ethanamine?
The InChIKey is LKHRRLPJSVYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-5-10-8-12(9-10)7-6-11-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-(3-propylazetidin-1-yl)ethanamine?
N-ethyl-2-(3-propylazetidin-1-yl)ethanamine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propylazetidin-1-yl)ethanamine is sourced from PubChem (CID 79677772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).