pyrrolidine-3,4-diamine

C4H11N3 — CID 12988583

IUPACpyrrolidine-3,4-diamine
SMILESNC1CNCC1N
InChIInChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2
InChIKeyWCOQAGPRGRKKLM-UHFFFAOYSA-N
MW101.15 g/mol
LogP-1.76
Rot. Bonds

About pyrrolidine-3,4-diamine

pyrrolidine-3,4-diamine (PubChem CID 12988583) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is pyrrolidine-3,4-diamine.

Molecular Properties

Compound Namepyrrolidine-3,4-diamine
PubChem CID12988583
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Namepyrrolidine-3,4-diamine
SMILESNC1CNCC1N
InChIInChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2
InChIKeyWCOQAGPRGRKKLM-UHFFFAOYSA-N
XLogP-1.76
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(+)-2-(Aminomethyl)pyrrolidine
CID 2734054
3-Aminopyrrolidine
CID 164401
3-(Ethylamino)pyrrolidine
CID 14280900
(3S)-(-)-3-Aminopyrrolidine
CID 1519351
(3R)-pyrrolidin-3-amine
CID 1519352
3-(Dimethylamino)pyrrolidine
CID 2758519
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
1-((2S)-pyrrolidin-2-yl)methanamine dihydrochloride
CID 13162056
((2R)-pyrrolidin-2-yl)methanamine dihydrochloride
CID 13162057
3-Aminopyrrolidine dihydrochloride
CID 16212596
3-(Diethylamino)pyrrolidine
CID 19961995
(3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 53487164

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3,4-diamine?
The IUPAC name of pyrrolidine-3,4-diamine (CID 12988583) is pyrrolidine-3,4-diamine.
What is the SMILES notation for pyrrolidine-3,4-diamine?
The canonical SMILES for pyrrolidine-3,4-diamine is NC1CNCC1N.
What is the InChIKey of pyrrolidine-3,4-diamine?
The InChIKey is WCOQAGPRGRKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2.
What are the key properties of pyrrolidine-3,4-diamine?
pyrrolidine-3,4-diamine has a molecular weight of 101.15 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3,4-diamine is sourced from PubChem (CID 12988583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).