1-chloro-2-methylpropan-1-amine;hydrochloride

C4H11Cl2N — CID 141225762

IUPAC1-chloro-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)C(N)Cl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-3(2)4(5)6;/h3-4H,6H2,1-2H3;1H
InChIKeyNNDUCRIDVUFKBN-UHFFFAOYSA-N
MW144.04 g/mol
LogP1.59
Rot. Bonds1

About 1-chloro-2-methylpropan-1-amine;hydrochloride

1-chloro-2-methylpropan-1-amine;hydrochloride (PubChem CID 141225762) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is 1-chloro-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-chloro-2-methylpropan-1-amine;hydrochloride
PubChem CID141225762
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name1-chloro-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)C(N)Cl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-3(2)4(5)6;/h3-4H,6H2,1-2H3;1H
InChIKeyNNDUCRIDVUFKBN-UHFFFAOYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 1-chloro-2-methylpropan-1-amine;hydrochloride (CID 141225762) is 1-chloro-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 1-chloro-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 1-chloro-2-methylpropan-1-amine;hydrochloride is CC(C)C(N)Cl.Cl.
What is the InChIKey of 1-chloro-2-methylpropan-1-amine;hydrochloride?
The InChIKey is NNDUCRIDVUFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-3(2)4(5)6;/h3-4H,6H2,1-2H3;1H.
What are the key properties of 1-chloro-2-methylpropan-1-amine;hydrochloride?
1-chloro-2-methylpropan-1-amine;hydrochloride has a molecular weight of 144.04 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 141225762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).