3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride

C3H9Cl2N — CID 175126730

IUPAC3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])(N)CCCl
InChIInChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H/i3D2;
InChIKeyIHPRVZKJZGXTBQ-BCKZTNHCSA-N
MW132.03 g/mol
LogP1.00
Rot. Bonds2

About 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride

3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride (PubChem CID 175126730) has the molecular formula C3H9Cl2N and a molecular weight of 132.03 g/mol. Its IUPAC name is 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride
PubChem CID175126730
Molecular FormulaC3H9Cl2N
Molecular Weight132.03 g/mol
Exact Mass131.02
IUPAC Name3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])(N)CCCl
InChIInChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H/i3D2;
InChIKeyIHPRVZKJZGXTBQ-BCKZTNHCSA-N
XLogP1.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.03
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10534652
1-chloropentane;2-methylpropan-1-amine;hydrochloride
CID 174765566
N'-(5-chloropentyl)hexadecane-1,16-diamine;dihydrochloride
CID 162312314
2-chloroethanamine;methane
CID 174938218
4-chlorobutan-1-amine;dimethylsilane
CID 158259243
1-chloropentane;ethane-1,2-diamine
CID 174805290
1,6-dichloro-3-(2-chloroethyl)hexan-3-amine
CID 87494184
alumane;1,8-dichlorooctane
CID 173313045
6-chlorohexylphosphane
CID 150562107
N'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580
1,10-dichloro-1,1,10,10-tetradeuteriodecane
CID 76974059
2-amino-2,2-dideuterioethanol
CID 13000292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride?
The IUPAC name of 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride (CID 175126730) is 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride.
What is the SMILES notation for 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride?
The canonical SMILES for 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride is Cl.[2H]C([2H])(N)CCCl.
What is the InChIKey of 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride?
The InChIKey is IHPRVZKJZGXTBQ-BCKZTNHCSA-N. The full InChI is InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H/i3D2;.
What are the key properties of 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride?
3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride has a molecular weight of 132.03 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1-dideuteriopropan-1-amine;hydrochloride is sourced from PubChem (CID 175126730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).