1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine

C12H25N3 — CID 83835140

IUPAC1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCC(N)CN1CCC(CN2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-11(13)8-15-7-4-12(10-15)9-14-5-2-3-6-14/h11-12H,2-10,13H2,1H3
InChIKeyPKNXUJDEJKECSK-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds4

About 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine

1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine (PubChem CID 83835140) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
PubChem CID83835140
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCC(N)CN1CCC(CN2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-11(13)8-15-7-4-12(10-15)9-14-5-2-3-6-14/h11-12H,2-10,13H2,1H3
InChIKeyPKNXUJDEJKECSK-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 113416111
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477
(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
CID 103934627
(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
CID 127004218

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine?
The IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine (CID 83835140) is 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine?
The canonical SMILES for 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine is CC(N)CN1CCC(CN2CCCC2)C1.
What is the InChIKey of 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine?
The InChIKey is PKNXUJDEJKECSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(13)8-15-7-4-12(10-15)9-14-5-2-3-6-14/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine?
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine is sourced from PubChem (CID 83835140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).