(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride

C9H14Cl2N2 — CID 162422686

IUPAC(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(C2CC2)n1
InChIInChI=1S/C9H12N2.2ClH/c10-6-8-2-1-3-9(11-8)7-4-5-7;;/h1-3,7H,4-6,10H2;2*1H
InChIKeyNKXWFDMJSKRIPH-UHFFFAOYSA-N
MW221.13 g/mol
LogP2.26
Rot. Bonds2

About (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride

(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride (PubChem CID 162422686) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
PubChem CID162422686
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(C2CC2)n1
InChIInChI=1S/C9H12N2.2ClH/c10-6-8-2-1-3-9(11-8)7-4-5-7;;/h1-3,7H,4-6,10H2;2*1H
InChIKeyNKXWFDMJSKRIPH-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride (CID 162422686) is (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cccc(C2CC2)n1.
What is the InChIKey of (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride?
The InChIKey is NKXWFDMJSKRIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2ClH/c10-6-8-2-1-3-9(11-8)7-4-5-7;;/h1-3,7H,4-6,10H2;2*1H.
What are the key properties of (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride?
(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 162422686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).