3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine

C11H23N3 — CID 156638769

IUPAC3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine
SMILESC=C(N)N1C[C@H](CCCN)CC1(C)C
InChIInChI=1S/C11H23N3/c1-9(13)14-8-10(5-4-6-12)7-11(14,2)3/h10H,1,4-8,12-13H2,2-3H3/t10-/m1/s1
InChIKeyHCJKZFRUPZOCKU-SNVBAGLBSA-N
MW197.33 g/mol
LogP1.26
Rot. Bonds4

About 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine

3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine (PubChem CID 156638769) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine
PubChem CID156638769
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine
SMILESC=C(N)N1C[C@H](CCCN)CC1(C)C
InChIInChI=1S/C11H23N3/c1-9(13)14-8-10(5-4-6-12)7-11(14,2)3/h10H,1,4-8,12-13H2,2-3H3/t10-/m1/s1
InChIKeyHCJKZFRUPZOCKU-SNVBAGLBSA-N
XLogP1.26
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 134463521
CID 134463521
CID 134606195
CID 134606195
CID 144043734
CID 144043734
CID 156092230
CID 156092230
CID 174025772
CID 174025772
CID 153336012
CID 153336012

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine?
The IUPAC name of 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine (CID 156638769) is 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine?
The canonical SMILES for 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine is C=C(N)N1C[C@H](CCCN)CC1(C)C.
What is the InChIKey of 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine?
The InChIKey is HCJKZFRUPZOCKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(13)14-8-10(5-4-6-12)7-11(14,2)3/h10H,1,4-8,12-13H2,2-3H3/t10-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine?
3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-aminoethenyl)-5,5-dimethylpyrrolidin-3-yl]propan-1-amine is sourced from PubChem (CID 156638769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).