2-methylpropan-1-amine;dihydrochloride

C4H13Cl2N — CID 87715804

IUPAC2-methylpropan-1-amine;dihydrochloride
SMILESCC(C)CN.Cl.Cl
InChIInChI=1S/C4H11N.2ClH/c1-4(2)3-5;;/h4H,3,5H2,1-2H3;2*1H
InChIKeyAPJBXIMFEOFYMS-UHFFFAOYSA-N
MW146.06 g/mol
LogP1.44
Rot. Bonds1

About 2-methylpropan-1-amine;dihydrochloride

2-methylpropan-1-amine;dihydrochloride (PubChem CID 87715804) has the molecular formula C4H13Cl2N and a molecular weight of 146.06 g/mol. Its IUPAC name is 2-methylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-methylpropan-1-amine;dihydrochloride
PubChem CID87715804
Molecular FormulaC4H13Cl2N
Molecular Weight146.06 g/mol
Exact Mass145.04
IUPAC Name2-methylpropan-1-amine;dihydrochloride
SMILESCC(C)CN.Cl.Cl
InChIInChI=1S/C4H11N.2ClH/c1-4(2)3-5;;/h4H,3,5H2,1-2H3;2*1H
InChIKeyAPJBXIMFEOFYMS-UHFFFAOYSA-N
XLogP1.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.06
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-amine;dihydrochloride?
The IUPAC name of 2-methylpropan-1-amine;dihydrochloride (CID 87715804) is 2-methylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 2-methylpropan-1-amine;dihydrochloride?
The canonical SMILES for 2-methylpropan-1-amine;dihydrochloride is CC(C)CN.Cl.Cl.
What is the InChIKey of 2-methylpropan-1-amine;dihydrochloride?
The InChIKey is APJBXIMFEOFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.2ClH/c1-4(2)3-5;;/h4H,3,5H2,1-2H3;2*1H.
What are the key properties of 2-methylpropan-1-amine;dihydrochloride?
2-methylpropan-1-amine;dihydrochloride has a molecular weight of 146.06 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 87715804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).