[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride

C11H17Cl4N3 — CID 154906521

IUPAC[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(Cc2c(Cl)cncc2Cl)C1
InChIInChI=1S/C11H15Cl2N3.2ClH/c12-10-4-15-5-11(13)9(10)7-16-2-1-8(3-14)6-16;;/h4-5,8H,1-3,6-7,14H2;2*1H
InChIKeyAQRZCRUBCSMYLF-UHFFFAOYSA-N
MW333.09 g/mol
LogP3.01
Rot. Bonds3

About [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride

[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 154906521) has the molecular formula C11H17Cl4N3 and a molecular weight of 333.09 g/mol. Its IUPAC name is [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID154906521
Molecular FormulaC11H17Cl4N3
Molecular Weight333.09 g/mol
Exact Mass331.02
IUPAC Name[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(Cc2c(Cl)cncc2Cl)C1
InChIInChI=1S/C11H15Cl2N3.2ClH/c12-10-4-15-5-11(13)9(10)7-16-2-1-8(3-14)6-16;;/h4-5,8H,1-3,6-7,14H2;2*1H
InChIKeyAQRZCRUBCSMYLF-UHFFFAOYSA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.09
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride (CID 154906521) is [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride is Cl.Cl.NCC1CCN(Cc2c(Cl)cncc2Cl)C1.
What is the InChIKey of [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is AQRZCRUBCSMYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3.2ClH/c12-10-4-15-5-11(13)9(10)7-16-2-1-8(3-14)6-16;;/h4-5,8H,1-3,6-7,14H2;2*1H.
What are the key properties of [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride?
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 333.09 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 154906521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).