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

C10H21ClN+ — CID 91400476

IUPACN-chloro-2,4,5,5-tetramethylhexan-2-amine
SMILESC[C+](CC(C)(C)NCl)C(C)(C)C
InChIInChI=1S/C10H21ClN/c1-8(9(2,3)4)7-10(5,6)12-11/h12H,7H2,1-6H3/q+1
InChIKeyWDYQMGHTVJLIBC-UHFFFAOYSA-N
MW190.74 g/mol
LogP3.54
Rot. Bonds3

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

N-chloro-2,4,5,5-tetramethylhexan-2-amine (PubChem CID 91400476) has the molecular formula C10H21ClN+ and a molecular weight of 190.74 g/mol. Its IUPAC name is N-chloro-2,4,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound NameN-chloro-2,4,5,5-tetramethylhexan-2-amine
PubChem CID91400476
Molecular FormulaC10H21ClN+
Molecular Weight190.74 g/mol
Exact Mass190.14
IUPAC NameN-chloro-2,4,5,5-tetramethylhexan-2-amine
SMILESC[C+](CC(C)(C)NCl)C(C)(C)C
InChIInChI=1S/C10H21ClN/c1-8(9(2,3)4)7-10(5,6)12-11/h12H,7H2,1-6H3/q+1
InChIKeyWDYQMGHTVJLIBC-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-chloro-2,4,5,5-tetramethylhexan-2-amine?
The IUPAC name of N-chloro-2,4,5,5-tetramethylhexan-2-amine (CID 91400476) is N-chloro-2,4,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for N-chloro-2,4,5,5-tetramethylhexan-2-amine?
The canonical SMILES for N-chloro-2,4,5,5-tetramethylhexan-2-amine is C[C+](CC(C)(C)NCl)C(C)(C)C.
What is the InChIKey of N-chloro-2,4,5,5-tetramethylhexan-2-amine?
The InChIKey is WDYQMGHTVJLIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN/c1-8(9(2,3)4)7-10(5,6)12-11/h12H,7H2,1-6H3/q+1.
What are the key properties of N-chloro-2,4,5,5-tetramethylhexan-2-amine?
N-chloro-2,4,5,5-tetramethylhexan-2-amine has a molecular weight of 190.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2,4,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 91400476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).