(2S)-3-chloro-2-methylpropan-1-amine;hydrochloride

C4H11Cl2N — CID 171991661

IUPAC(2S)-3-chloro-2-methylpropan-1-amine;hydrochloride
SMILESC[C@@H](CN)CCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-4(2-5)3-6;/h4H,2-3,6H2,1H3;1H/t4-;/m1./s1
InChIKeyITTYYDPHCKDOMF-PGMHMLKASA-N
MW144.04 g/mol
LogP1.24
Rot. Bonds2

About (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride

(2S)-3-chloro-2-methylpropan-1-amine;hydrochloride (PubChem CID 171991661) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-3-chloro-2-methylpropan-1-amine;hydrochloride
PubChem CID171991661
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name(2S)-3-chloro-2-methylpropan-1-amine;hydrochloride
SMILESC[C@@H](CN)CCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-4(2-5)3-6;/h4H,2-3,6H2,1H3;1H/t4-;/m1./s1
InChIKeyITTYYDPHCKDOMF-PGMHMLKASA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride (CID 171991661) is (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride is C[C@@H](CN)CCl.Cl.
What is the InChIKey of (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride?
The InChIKey is ITTYYDPHCKDOMF-PGMHMLKASA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-4(2-5)3-6;/h4H,2-3,6H2,1H3;1H/t4-;/m1./s1.
What are the key properties of (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride?
(2S)-3-chloro-2-methylpropan-1-amine;hydrochloride has a molecular weight of 144.04 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-chloro-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171991661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).