(2-propyl-4-pyridinyl)methanamine;dihydrochloride

C9H16Cl2N2 — CID 122163330

IUPAC(2-propyl-4-pyridinyl)methanamine;dihydrochloride
SMILESCCCc1cc(CN)ccn1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-2-3-9-6-8(7-10)4-5-11-9;;/h4-6H,2-3,7,10H2,1H3;2*1H
InChIKeyDAEGEYFEEBUPJU-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.34
Rot. Bonds3

About (2-propyl-4-pyridinyl)methanamine;dihydrochloride

(2-propyl-4-pyridinyl)methanamine;dihydrochloride (PubChem CID 122163330) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is (2-propyl-4-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-propyl-4-pyridinyl)methanamine;dihydrochloride
PubChem CID122163330
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name(2-propyl-4-pyridinyl)methanamine;dihydrochloride
SMILESCCCc1cc(CN)ccn1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-2-3-9-6-8(7-10)4-5-11-9;;/h4-6H,2-3,7,10H2,1H3;2*1H
InChIKeyDAEGEYFEEBUPJU-UHFFFAOYSA-N
XLogP2.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propyl-4-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (2-propyl-4-pyridinyl)methanamine;dihydrochloride (CID 122163330) is (2-propyl-4-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (2-propyl-4-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (2-propyl-4-pyridinyl)methanamine;dihydrochloride is CCCc1cc(CN)ccn1.Cl.Cl.
What is the InChIKey of (2-propyl-4-pyridinyl)methanamine;dihydrochloride?
The InChIKey is DAEGEYFEEBUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-2-3-9-6-8(7-10)4-5-11-9;;/h4-6H,2-3,7,10H2,1H3;2*1H.
What are the key properties of (2-propyl-4-pyridinyl)methanamine;dihydrochloride?
(2-propyl-4-pyridinyl)methanamine;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-4-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 122163330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).