N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine

C8H19N3 — CID 84763928

IUPACN,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine
SMILESCN(C)C(CN)C1CCNC1
InChIInChI=1S/C8H19N3/c1-11(2)8(5-9)7-3-4-10-6-7/h7-8,10H,3-6,9H2,1-2H3
InChIKeyFSZIFMLGXGUZOC-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.52
Rot. Bonds3

About N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine

N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine (PubChem CID 84763928) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine
PubChem CID84763928
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine
SMILESCN(C)C(CN)C1CCNC1
InChIInChI=1S/C8H19N3/c1-11(2)8(5-9)7-3-4-10-6-7/h7-8,10H,3-6,9H2,1-2H3
InChIKeyFSZIFMLGXGUZOC-UHFFFAOYSA-N
XLogP-0.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
3-(Diethylamino)pyrrolidine
CID 19961995
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Amino-3-ethylpentan-2-yl)dimethylamine
CID 42933682
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
1-(Cyclopentylmethyl)pyrrolidin-3-amine
CID 43371132
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624
(S)-(1-propylpyrrolidin-2-yl)methanamine
CID 12829005
[(2S)-1-butylpyrrolidin-2-yl]methanamine
CID 12829008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine (CID 84763928) is N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine is CN(C)C(CN)C1CCNC1.
What is the InChIKey of N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine?
The InChIKey is FSZIFMLGXGUZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-11(2)8(5-9)7-3-4-10-6-7/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine?
N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine has a molecular weight of 157.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine is sourced from PubChem (CID 84763928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).