(6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride

C10H17Cl2N3 — CID 154814279

IUPAC(6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(N2CCCC2)n1
InChIInChI=1S/C10H15N3.2ClH/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13;;/h3-5H,1-2,6-8,11H2;2*1H
InChIKeyQDKYKJFEDQZUSL-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.98
Rot. Bonds2

About (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride

(6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride (PubChem CID 154814279) has the molecular formula C10H17Cl2N3 and a molecular weight of 250.17 g/mol. Its IUPAC name is (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride
PubChem CID154814279
Molecular FormulaC10H17Cl2N3
Molecular Weight250.17 g/mol
Exact Mass249.08
IUPAC Name(6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(N2CCCC2)n1
InChIInChI=1S/C10H15N3.2ClH/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13;;/h3-5H,1-2,6-8,11H2;2*1H
InChIKeyQDKYKJFEDQZUSL-UHFFFAOYSA-N
XLogP1.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride (CID 154814279) is (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cccc(N2CCCC2)n1.
What is the InChIKey of (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride?
The InChIKey is QDKYKJFEDQZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2ClH/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13;;/h3-5H,1-2,6-8,11H2;2*1H.
What are the key properties of (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride?
(6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride has a molecular weight of 250.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrrolidin-1-yl-2-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 154814279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).