N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine

C13H29N3 — CID 83963240

IUPACN-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CCN1CCC(CCN)C1
InChIInChI=1S/C13H29N3/c1-3-8-15(4-2)10-11-16-9-6-13(12-16)5-7-14/h13H,3-12,14H2,1-2H3
InChIKeyLJEYHHMKJNALFM-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds8

About N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine

N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine (PubChem CID 83963240) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
PubChem CID83963240
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CCN1CCC(CCN)C1
InChIInChI=1S/C13H29N3/c1-3-8-15(4-2)10-11-16-9-6-13(12-16)5-7-14/h13H,3-12,14H2,1-2H3
InChIKeyLJEYHHMKJNALFM-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
CID 107913841
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
CID 19846011
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
[1-[2-(diethylamino)ethyl]piperidin-4-yl]methanol
CID 62020074

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine (CID 83963240) is N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine is CCCN(CC)CCN1CCC(CCN)C1.
What is the InChIKey of N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine?
The InChIKey is LJEYHHMKJNALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-8-15(4-2)10-11-16-9-6-13(12-16)5-7-14/h13H,3-12,14H2,1-2H3.
What are the key properties of N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine?
N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 83963240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).