4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride

C9H17Cl2N3 — CID 11218619

IUPAC4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride
SMILESCC(C)Nc1cnccc1CN.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-7(2)12-9-6-11-4-3-8(9)5-10;;/h3-4,6-7,12H,5,10H2,1-2H3;2*1H
InChIKeyJBZOGCYNTQRSBX-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.20
Rot. Bonds3

About 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride

4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride (PubChem CID 11218619) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride
PubChem CID11218619
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride
SMILESCC(C)Nc1cnccc1CN.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-7(2)12-9-6-11-4-3-8(9)5-10;;/h3-4,6-7,12H,5,10H2,1-2H3;2*1H
InChIKeyJBZOGCYNTQRSBX-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride (CID 11218619) is 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride is CC(C)Nc1cnccc1CN.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride?
The InChIKey is JBZOGCYNTQRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-7(2)12-9-6-11-4-3-8(9)5-10;;/h3-4,6-7,12H,5,10H2,1-2H3;2*1H.
What are the key properties of 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride?
4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride is sourced from PubChem (CID 11218619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).