1-chloro-2-methylpropan-1-amine

C4H10ClN — CID 57282318

IUPAC1-chloro-2-methylpropan-1-amine
SMILESCC(C)C(N)Cl
InChIInChI=1S/C4H10ClN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3
InChIKeyUFAQYUCWFSXDGO-UHFFFAOYSA-N
MW107.58 g/mol
LogP1.17
Rot. Bonds1

About 1-chloro-2-methylpropan-1-amine

1-chloro-2-methylpropan-1-amine (PubChem CID 57282318) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 1-chloro-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-chloro-2-methylpropan-1-amine
PubChem CID57282318
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name1-chloro-2-methylpropan-1-amine
SMILESCC(C)C(N)Cl
InChIInChI=1S/C4H10ClN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3
InChIKeyUFAQYUCWFSXDGO-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 51.17
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?
The IUPAC name of 1-chloro-2-methylpropan-1-amine (CID 57282318) is 1-chloro-2-methylpropan-1-amine.
What is the SMILES notation for 1-chloro-2-methylpropan-1-amine?
The canonical SMILES for 1-chloro-2-methylpropan-1-amine is CC(C)C(N)Cl.
What is the InChIKey of 1-chloro-2-methylpropan-1-amine?
The InChIKey is UFAQYUCWFSXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3.
What are the key properties of 1-chloro-2-methylpropan-1-amine?
1-chloro-2-methylpropan-1-amine has a molecular weight of 107.58 g/mol, XLogP of 1.17, 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 is sourced from PubChem (CID 57282318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).