1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine

C10H23N3 — CID 117237152

IUPAC1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCN1CCC(C(N)CN(C)C)C1
InChIInChI=1S/C10H23N3/c1-4-13-6-5-9(7-13)10(11)8-12(2)3/h9-10H,4-8,11H2,1-3H3
InChIKeyLIORAXQSEKQLJA-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.22
Rot. Bonds4

About 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine

1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 117237152) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID117237152
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCN1CCC(C(N)CN(C)C)C1
InChIInChI=1S/C10H23N3/c1-4-13-6-5-9(7-13)10(11)8-12(2)3/h9-10H,4-8,11H2,1-3H3
InChIKeyLIORAXQSEKQLJA-UHFFFAOYSA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1-ethylpyrrolidin-3-yl)-N,N-dimethylethanamine
CID 163831391
2-(dimethylamino)-1-(1-ethylpiperidin-4-yl)ethanol
CID 117238589
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
N'-cyclopropyl-1-(1-ethylpiperidin-4-yl)ethane-1,2-diamine
CID 117238537
2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
CID 117237323
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
CID 117237155
1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117237301
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine
CID 171634337
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 117237152) is 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine is CCN1CCC(C(N)CN(C)C)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LIORAXQSEKQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-13-6-5-9(7-13)10(11)8-12(2)3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 117237152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).