N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine

C10H20Cl2N+ — CID 91378551

IUPACN,N-dichloro-2,4,5,5-tetramethylhexan-2-amine
SMILESC[C+](CC(C)(C)N(Cl)Cl)C(C)(C)C
InChIInChI=1S/C10H20Cl2N/c1-8(9(2,3)4)7-10(5,6)13(11)12/h7H2,1-6H3/q+1
InChIKeyGIGDVOOEZNZYFC-UHFFFAOYSA-N
MW225.18 g/mol
LogP4.41
Rot. Bonds3

About N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine

N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine (PubChem CID 91378551) has the molecular formula C10H20Cl2N+ and a molecular weight of 225.18 g/mol. Its IUPAC name is N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound NameN,N-dichloro-2,4,5,5-tetramethylhexan-2-amine
PubChem CID91378551
Molecular FormulaC10H20Cl2N+
Molecular Weight225.18 g/mol
Exact Mass224.10
IUPAC NameN,N-dichloro-2,4,5,5-tetramethylhexan-2-amine
SMILESC[C+](CC(C)(C)N(Cl)Cl)C(C)(C)C
InChIInChI=1S/C10H20Cl2N/c1-8(9(2,3)4)7-10(5,6)13(11)12/h7H2,1-6H3/q+1
InChIKeyGIGDVOOEZNZYFC-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dichloro-2,4,4-trimethylpentan-2-amine
CID 12465762
N,N-dichloro-2,5,6,6-tetramethylheptan-2-amine
CID 90697939
4-tert-butyl-N,N-dichloro-2,5,5-trimethylhexan-2-amine
CID 91083840
N-chloro-2,4,5,5-tetramethylhexan-2-amine
CID 91400476
Chloro(2,4,4-trimethylpentan-2-ylimino)-lambda3-chlorane
CID 140607674

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine?
The IUPAC name of N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine (CID 91378551) is N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine?
The canonical SMILES for N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine is C[C+](CC(C)(C)N(Cl)Cl)C(C)(C)C.
What is the InChIKey of N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine?
The InChIKey is GIGDVOOEZNZYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2N/c1-8(9(2,3)4)7-10(5,6)13(11)12/h7H2,1-6H3/q+1.
What are the key properties of N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine?
N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine has a molecular weight of 225.18 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-2,4,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 91378551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).