1,1-dichloro-2,2-diethylbutan-1-amine

C8H17Cl2N — CID 140975964

IUPAC1,1-dichloro-2,2-diethylbutan-1-amine
SMILESCCC(CC)(CC)C(N)(Cl)Cl
InChIInChI=1S/C8H17Cl2N/c1-4-7(5-2,6-3)8(9,10)11/h4-6,11H2,1-3H3
InChIKeyYFUNNOBTPACMJL-UHFFFAOYSA-N
MW198.14 g/mol
LogP3.29
Rot. Bonds4

About 1,1-dichloro-2,2-diethylbutan-1-amine

1,1-dichloro-2,2-diethylbutan-1-amine (PubChem CID 140975964) has the molecular formula C8H17Cl2N and a molecular weight of 198.14 g/mol. Its IUPAC name is 1,1-dichloro-2,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1,1-dichloro-2,2-diethylbutan-1-amine
PubChem CID140975964
Molecular FormulaC8H17Cl2N
Molecular Weight198.14 g/mol
Exact Mass197.07
IUPAC Name1,1-dichloro-2,2-diethylbutan-1-amine
SMILESCCC(CC)(CC)C(N)(Cl)Cl
InChIInChI=1S/C8H17Cl2N/c1-4-7(5-2,6-3)8(9,10)11/h4-6,11H2,1-3H3
InChIKeyYFUNNOBTPACMJL-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 53.29
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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Related Compounds

1-chloropentane-1,1-diamine
CID 175198933
5-chlorononan-5-amine
CID 88596915
2,2-diethyl-3,3-dimethylpentan-1-amine
CID 166876877
1,1,1-trichloropropane;trihydrochloride
CID 175077591
2-methylbutan-2-amine;propane
CID 91035545
dichloromethane;1,1,1-trichloropropane
CID 23328703
2-methylbutan-2-amine;hydrate
CID 173000674
alumane;2,2-dichlorobutane
CID 173433113
1,1-dibromopropan-1-amine
CID 130016828
methanol;1,1,1-trichloropropane
CID 160733692
3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol
CID 66090744
2-chloro-2-methylbutane;methanol
CID 88619841

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2-diethylbutan-1-amine?
The IUPAC name of 1,1-dichloro-2,2-diethylbutan-1-amine (CID 140975964) is 1,1-dichloro-2,2-diethylbutan-1-amine.
What is the SMILES notation for 1,1-dichloro-2,2-diethylbutan-1-amine?
The canonical SMILES for 1,1-dichloro-2,2-diethylbutan-1-amine is CCC(CC)(CC)C(N)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2-diethylbutan-1-amine?
The InChIKey is YFUNNOBTPACMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2N/c1-4-7(5-2,6-3)8(9,10)11/h4-6,11H2,1-3H3.
What are the key properties of 1,1-dichloro-2,2-diethylbutan-1-amine?
1,1-dichloro-2,2-diethylbutan-1-amine has a molecular weight of 198.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2-diethylbutan-1-amine is sourced from PubChem (CID 140975964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).