3,3-dichloro-2,2-dimethylpropan-1-amine

C5H11Cl2N — CID 175054384

IUPAC3,3-dichloro-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(Cl)Cl
InChIInChI=1S/C5H11Cl2N/c1-5(2,3-8)4(6)7/h4H,3,8H2,1-2H3
InChIKeyBNGLVHCPSQUETP-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.77
Rot. Bonds2

About 3,3-dichloro-2,2-dimethylpropan-1-amine

3,3-dichloro-2,2-dimethylpropan-1-amine (PubChem CID 175054384) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 3,3-dichloro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3,3-dichloro-2,2-dimethylpropan-1-amine
PubChem CID175054384
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name3,3-dichloro-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(Cl)Cl
InChIInChI=1S/C5H11Cl2N/c1-5(2,3-8)4(6)7/h4H,3,8H2,1-2H3
InChIKeyBNGLVHCPSQUETP-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.77
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

2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
2,2-dimethylbutane-1,3-diamine
CID 22255870
5-amino-3,4,4-trimethylpentan-2-ol
CID 130514641
3-fluoro-2,2-dimethylpentan-1-amine
CID 105427765
6,6-dichloro-5,5-dimethylhex-1-ene
CID 10375046
2,2-dimethylpropane-1,3-diamine
CID 162099967
4-amino-3,3-dimethyl-2-sulfanylbutanoic acid
CID 154153268
2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine
CID 158675128
1-cyclopentyl-2,2-dimethylpropane-1,3-diamine
CID 116933489
3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine
CID 115012199
azane;2,2-dimethylpropan-1-amine;hydrochloride
CID 178079303
1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol
CID 165443341

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2,2-dimethylpropan-1-amine?
The IUPAC name of 3,3-dichloro-2,2-dimethylpropan-1-amine (CID 175054384) is 3,3-dichloro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3,3-dichloro-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3,3-dichloro-2,2-dimethylpropan-1-amine is CC(C)(CN)C(Cl)Cl.
What is the InChIKey of 3,3-dichloro-2,2-dimethylpropan-1-amine?
The InChIKey is BNGLVHCPSQUETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c1-5(2,3-8)4(6)7/h4H,3,8H2,1-2H3.
What are the key properties of 3,3-dichloro-2,2-dimethylpropan-1-amine?
3,3-dichloro-2,2-dimethylpropan-1-amine has a molecular weight of 156.06 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 175054384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).